data_2d9v_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 2d9v _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 ' 8' ' ' LEU . . . . . 0.427 HD23 ' N ' ' A' ' 10' ' ' ARG . 3.1 tt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.849 0.357 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.425 ' CG2' HD23 ' A' ' 31' ' ' LEU . 65.7 t -91.92 -58.84 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.427 ' N ' HD23 ' A' ' 8' ' ' LEU . 36.1 ttm-85 -144.49 158.54 43.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -154.69 96.17 0.16 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.526 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -133.83 179.13 17.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.478 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 71.4 m95 -98.82 129.69 45.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.864 0.364 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.482 HD12 ' CD1' ' A' ' 105' ' ' TRP . 33.1 mt -131.64 153.86 49.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.55 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 89.8 m95 -91.03 120.86 32.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.1 ttp85 -111.61 136.77 50.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.93 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 55.1 ttt-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.768 0.318 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.446 ' CH2' ' HB2' ' A' ' 95' ' ' CYS . 90.0 m95 -76.24 147.25 38.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.55 156.36 43.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.55 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 49.7 mtm180 -78.55 131.49 36.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -146.2 141.42 27.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -98.42 107.74 20.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.5 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 15.9 m-85 -95.29 133.11 39.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.858 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.22 124.76 27.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.425 HD23 ' CG2' ' A' ' 9' ' ' VAL . 21.5 tp -93.6 137.7 32.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.416 ' CH2' HD12 ' A' ' 8' ' ' LEU . 64.8 m95 -105.17 148.95 26.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.9 mt -58.72 -36.52 74.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -53.82 -18.12 3.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.87 38.56 4.09 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.4 p -126.98 159.21 34.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 111.137 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.454 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 10.3 tp -129.34 113.01 14.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.31 134.36 8.55 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -118.29 127.5 53.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.903 0.383 . . . . 0.0 110.881 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 1.6 m-85 -111.63 168.19 9.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.938 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -48.31 -55.92 9.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 43' ' ' GLU . 1.1 m-20 -135.66 171.82 13.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 42' ' ' ASP . 7.9 pt-20 -36.34 -42.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 67.1 p -73.44 107.33 5.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.39 84.21 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -114.35 -41.94 3.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -117.93 79.13 1.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.41 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . 5.0 pt-20 -54.82 126.22 23.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -85.28 -43.48 13.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -170.69 175.41 4.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -152.17 122.78 7.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.438 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 35.3 m -114.8 156.61 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.432 HG11 ' N ' ' A' ' 54' ' ' ILE . 66.2 t -82.93 137.56 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.454 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 13.0 mm -108.43 -42.28 5.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 56' ' ' PHE . 25.7 t-80 -57.38 121.44 10.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 55' ' ' HIS . 24.6 m-85 37.05 47.4 0.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -128.27 -37.43 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.4 t -66.17 110.67 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.9 ttt85 -73.0 -41.78 63.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.424 ' C ' HG13 ' A' ' 61' ' ' ILE . 14.8 t70 -165.96 170.1 14.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.424 HG13 ' C ' ' A' ' 60' ' ' ASP . 90.3 mt -151.63 126.1 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.078 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -106.08 154.24 20.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 99.1 t -149.15 133.88 9.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . 65.25 -143.93 46.86 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.513 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.453 ' O ' ' C ' ' A' ' 66' ' ' GLU . 48.4 tp60 -37.34 -42.8 0.51 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.737 0.303 . . . . 0.0 110.914 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' GLN . 24.9 mt-10 -33.98 -43.57 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 21.9 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.888 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.46 ' CA ' HD12 ' A' ' 81' ' ' LEU . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 121.604 0.585 . . . . 0.0 112.344 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -165.77 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.701 2.267 . . . . 0.0 112.367 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -70.72 132.44 45.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.31 -61.98 3.86 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -48.09 176.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.855 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.39 161.53 36.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -58.65 -11.39 3.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -85.45 24.37 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -137.72 -30.55 0.25 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.46 HD12 ' CA ' ' A' ' 72' ' ' PRO . 6.8 mp -36.74 151.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.767 0.317 . . . . 0.0 110.937 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.426 ' C ' HD21 ' A' ' 82' ' ' LEU . 6.9 tt -168.85 125.99 0.99 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 36.1 m -129.59 140.37 51.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 85' ' ' ASN . 61.3 t -115.7 139.88 40.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.148 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.466 ' N ' HG13 ' A' ' 84' ' ' VAL . 2.4 m-80 -108.25 139.93 42.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 37.6 mt -109.61 144.98 37.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -55.78 -32.41 63.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -61.81 -20.04 63.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 120.21 -49.84 0.86 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.473 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 73.2 m -61.53 152.38 30.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.348 . . . . 0.0 110.888 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -118.76 -178.65 3.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.2 mt -133.33 112.89 12.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 43.0 m80 -84.18 115.78 22.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.5 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 25.5 mt -136.36 172.62 12.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.446 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 25.2 t -160.06 120.66 3.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.31 141.43 28.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -49.15 -39.61 29.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 64.7 p -134.15 163.99 28.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -59.09 -41.42 88.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -50.72 -54.29 24.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.3 -49.2 72.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.46 -54.37 33.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 63.5 mt -55.6 -46.84 79.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.17 -44.52 61.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.482 ' CD1' HD12 ' A' ' 14' ' ' LEU . 20.8 m95 -70.24 -41.37 73.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.944 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 57.2 tttt -59.77 -45.29 92.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 86.4 m -72.96 -43.57 62.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.66 -30.44 70.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.054 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 58.9 mt -84.85 -58.89 2.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 8.0 mmt -43.45 -42.13 4.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -64.39 -62.1 1.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -48.98 -31.59 7.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -69.44 -38.93 78.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -122.65 43.07 3.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 98.3 m -159.32 104.98 1.52 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.542 0.686 . . . . 0.0 111.155 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.244 . . . . 0.0 112.371 179.926 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.5 tp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.819 0.342 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.3 t -109.09 -58.9 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.7 ttm-85 -159.73 154.01 23.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.412 ' HA3' ' CZ2' ' A' ' 28' ' ' TRP . . . -120.28 -148.64 8.15 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 127.77 177.55 14.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 72.2 m95 -123.22 136.47 54.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.842 0.353 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.417 HD13 ' NE1' ' A' ' 105' ' ' TRP . 10.3 mt -143.47 155.56 44.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.557 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 98.5 m95 -91.23 118.85 30.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.453 ' HB2' ' CD2' ' A' ' 94' ' ' LEU . 17.4 ttt85 -108.68 143.27 37.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.949 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.9 mtp85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.843 0.354 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.454 ' CD1' ' HB3' ' A' ' 73' ' ' PRO . 92.3 m95 -80.77 137.82 36.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 pttt -143.45 145.45 32.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.557 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 14.4 mtp85 -64.98 140.98 58.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -155.44 131.53 10.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.412 ' CZ2' ' HA3' ' A' ' 11' ' ' GLY . 8.8 t-105 -87.15 112.17 21.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.499 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 24.0 m-85 -98.05 148.72 23.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.918 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.32 131.81 12.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.061 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.6 tp -94.48 139.11 31.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -105.36 153.9 21.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mt -67.51 -25.46 65.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -63.51 -11.15 21.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.04 42.42 5.31 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.523 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.2 p -138.49 158.98 43.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 0.0 111.159 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.451 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 11.9 tp -125.97 120.25 29.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.949 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.84 139.4 11.7 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -113.88 122.82 48.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.855 0.359 . . . . 0.0 110.917 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.479 ' CD2' ' HA ' ' A' ' 45' ' ' ALA . 47.1 m-85 -113.76 170.95 7.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.95 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -67.56 -54.01 23.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -138.98 -177.24 4.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -42.79 -30.2 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.9 p -82.43 112.47 19.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.479 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . . . -82.14 40.36 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -83.71 -38.07 21.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -90.59 42.16 1.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -37.55 114.76 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -86.33 -51.66 6.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -174.86 173.48 2.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -153.32 124.46 7.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.7 m -105.27 171.17 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 54' ' ' ILE . 61.7 t -89.63 139.48 17.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.467 ' N ' HG12 ' A' ' 53' ' ' VAL . 8.9 mm -108.72 -40.71 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 56' ' ' PHE . 32.5 t-80 -54.04 120.07 5.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 55' ' ' HIS . 43.5 m-85 36.82 42.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -121.51 -12.22 8.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.3 t -90.28 101.16 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.42 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 3.3 tpt180 -68.05 -44.66 75.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.42 ' CG ' ' O ' ' A' ' 59' ' ' ARG . 10.6 m-20 -161.44 159.68 28.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 26.2 mt -138.18 121.0 19.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.44 ' HB3' ' CB ' ' A' ' 66' ' ' GLU . 17.8 mtpp -107.01 140.5 39.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.41 HG22 ' CD1' ' A' ' 82' ' ' LEU . 86.0 t -138.22 140.67 39.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . 50.4 -126.88 25.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 64' ' ' GLY . 32.7 mt-30 -35.15 -55.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.775 0.321 . . . . 0.0 110.928 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.44 ' CB ' ' HB3' ' A' ' 62' ' ' LYS . 22.9 mt-10 -36.5 -50.52 0.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 59.6 m . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 -179.894 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.445 ' HB3' ' CD1' ' A' ' 81' ' ' LEU . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 121.532 0.555 . . . . 0.0 112.377 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.454 ' HB3' ' CD1' ' A' ' 24' ' ' TRP . 53.8 Cg_endo -69.78 -172.94 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.68 2.253 . . . . 0.0 112.332 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.489 ' C ' ' CD ' ' A' ' 74' ' ' GLU . 2.8 tm-20 -76.87 122.84 25.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.6 -34.47 5.55 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.455 ' NH2' ' CZ2' ' A' ' 15' ' ' TRP . 6.5 mpt_? -70.34 -177.39 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 0.0 110.847 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.4 m -128.79 153.33 47.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.3 mtm180 -61.5 -53.99 49.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -46.51 -20.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -74.32 -38.54 45.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 72' ' ' PRO . 5.5 mp -37.82 142.51 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.41 ' CD1' HG22 ' A' ' 63' ' ' VAL . 6.5 tp -156.77 115.65 3.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.9 m -116.77 113.73 22.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.176 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 92' ' ' LEU . 97.3 t -98.66 123.9 51.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -86.58 139.25 31.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 78.0 mt -119.0 143.42 47.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -53.8 -44.82 70.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -43.88 -29.77 0.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 107.33 34.05 3.01 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.485 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 m -149.9 107.52 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.904 0.383 . . . . 0.0 110.852 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.16 175.85 3.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 84' ' ' VAL . 8.6 mt -127.62 108.16 10.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -77.96 123.66 27.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.499 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 39.2 mt -146.75 174.62 11.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 51.6 t -156.1 115.12 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -87.37 150.7 23.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -52.92 -60.19 3.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 44.4 p -113.59 177.75 4.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -71.83 -31.81 66.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -61.43 -63.48 1.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -46.56 -45.0 18.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.08 -51.71 68.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.062 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 52.6 mt -59.3 -41.35 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.124 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -47.54 -53.94 13.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.417 ' NE1' HD13 ' A' ' 14' ' ' LEU . 69.9 m95 -61.38 -44.36 97.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 28.9 tttm -53.45 -46.62 69.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 94.5 m -72.49 -43.91 63.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.147 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.54 -31.12 71.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 42.9 mt -84.85 -54.34 4.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 10.2 mmt -47.23 -36.49 9.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.64 -67.92 0.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -46.58 -38.91 10.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.084 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.83 -39.36 77.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.4 t -117.61 43.26 2.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 15.6 m -153.86 104.93 2.48 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.562 0.696 . . . . 0.0 111.191 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.337 179.935 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.4 tp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.803 0.335 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 77.2 t -101.68 -57.04 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.3 ttm-85 -153.84 160.15 42.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -131.18 -119.04 2.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 77.57 -178.97 51.38 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 39.2 m95 -113.45 154.04 27.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.739 0.304 . . . . 0.0 110.94 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.426 HD12 ' NE1' ' A' ' 105' ' ' TRP . 93.7 mt -149.99 145.07 26.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.948 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.546 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 95.9 m95 -81.43 123.64 28.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.3 ttt85 -109.5 141.13 42.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.8 mtt-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.771 0.319 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -79.7 145.21 33.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -146.81 137.57 23.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.546 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 21.5 mtp180 -70.14 129.79 40.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -143.16 150.45 39.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -101.91 101.88 12.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.402 ' CD2' ' HB3' ' A' ' 39' ' ' TYR . 33.2 m-85 -91.79 141.08 29.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.65 124.97 12.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.1 tp -91.91 135.9 33.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -106.11 146.48 30.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 mt -55.01 -35.08 64.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -50.3 -18.41 0.61 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.59 30.29 7.74 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.3 p -124.34 163.17 22.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.827 0.346 . . . . 0.0 111.144 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.446 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 7.5 tp -130.29 117.9 20.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.37 139.92 13.03 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.443 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.414 ' CZ ' ' HB2' ' A' ' 50' ' ' ASP . 19.5 p90 -124.77 115.59 20.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.893 0.378 . . . . 0.0 110.959 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.508 ' CD2' ' HA ' ' A' ' 45' ' ' ALA . 5.7 m-85 -102.61 176.18 5.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.951 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -66.84 -47.68 71.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 43' ' ' GLU . 10.5 p-10 -151.85 -175.97 5.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 42' ' ' ASP . 8.5 tm-20 -34.99 -41.73 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.4 p -67.16 98.81 0.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.508 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . . . -82.4 44.67 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -99.65 -30.84 11.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 48' ' ' GLU . 4.3 t0 -87.85 43.72 1.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 47' ' ' ASP . 30.0 tt0 -35.81 102.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -75.42 -55.31 5.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.414 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 3.9 m-20 -159.2 176.18 12.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.409 ' HB3' ' CZ ' ' A' ' 51' ' ' ARG . 14.6 ttp-105 -154.92 118.98 4.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.1 m -107.31 159.94 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.0 t -86.35 139.58 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.446 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 19.8 mm -108.61 -39.2 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -60.39 120.82 10.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 38.32 47.03 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -126.05 -32.25 2.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 77.3 t -71.22 119.93 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -82.52 -42.68 18.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -162.84 168.81 20.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 77.4 mt -146.71 120.84 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.418 ' C ' HG23 ' A' ' 63' ' ' VAL . 63.2 mttt -104.68 145.12 30.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.418 HG23 ' C ' ' A' ' 62' ' ' LYS . 89.8 t -143.7 137.21 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.44 -132.56 32.69 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.481 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 67' ' ' CYS . 14.1 pt20 -50.22 -39.82 45.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.73 0.3 . . . . 0.0 110.881 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 65' ' ' GLN . 10.8 mt-10 -34.76 -33.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 65' ' ' GLN . 20.2 p . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.23 0.125 0 CA-C-O 121.565 0.569 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 74' ' ' GLU . 53.2 Cg_endo -69.78 151.83 69.04 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.641 2.227 . . . . 0.0 112.365 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 73' ' ' PRO . 4.2 tp10 -37.57 120.61 0.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.79 -58.18 0.63 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.467 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -52.72 173.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.353 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.2 t -115.91 165.12 13.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.2 mtp180 -74.76 -4.71 39.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.57 -22.58 28.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -82.25 -12.17 81.12 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.524 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.2 mp -54.17 147.39 13.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 tp -158.8 112.72 2.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 96.9 m -115.05 115.69 27.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.182 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.452 HG13 ' N ' ' A' ' 85' ' ' ASN . 44.8 t -94.53 146.19 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.095 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.452 ' N ' HG13 ' A' ' 84' ' ' VAL . 1.6 m-80 -116.18 134.51 54.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 37.8 mt -107.13 156.43 18.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -78.69 -23.56 45.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -62.47 -52.62 62.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 143.09 52.83 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -174.64 139.22 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 0.0 110.859 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -103.5 171.44 7.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.0 mt -126.32 102.29 7.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -79.38 98.29 6.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.804 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.0 mt -118.37 176.87 5.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 45.7 t -155.89 126.93 7.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.67 173.18 7.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -74.98 -46.71 33.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.6 p -132.2 143.26 49.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.435 ' NH1' ' OD1' ' A' ' 100' ' ' ASP . 0.0 OUTLIER -40.9 -27.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.435 ' OD1' ' NH1' ' A' ' 99' ' ' ARG . 2.7 m-20 -59.28 -66.0 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -50.05 -49.44 51.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.38 -46.39 37.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.162 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 60.6 mt -69.67 -37.46 74.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.56 -43.13 68.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.426 ' NE1' HD12 ' A' ' 14' ' ' LEU . 68.5 m95 -67.69 -44.0 78.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 37.2 tttt -51.1 -43.18 61.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 91.4 m -73.06 -43.61 61.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.04 -29.87 70.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.04 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 54.9 mt -85.49 -48.99 8.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 19.8 mmt -55.13 -42.01 72.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -65.89 -64.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.13 -37.94 23.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.103 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -64.19 -40.87 97.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.3 t -115.7 45.52 1.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 96.9 m -165.71 105.04 0.73 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.54 0.686 . . . . 0.0 111.147 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--N 1.341 0.152 0 C-N-CA 122.655 2.236 . . . . 0.0 112.314 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 tp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.857 0.361 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.6 t -91.29 -61.64 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -151.54 155.28 38.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -135.2 136.24 8.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.509 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -173.15 142.24 6.58 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.44 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -68.74 133.7 48.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.795 0.331 . . . . 0.0 110.934 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.402 HD11 ' CE2' ' A' ' 105' ' ' TRP . 66.7 mt -131.13 143.48 50.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.52 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 73.7 m95 -84.24 121.07 26.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.4 ttt-85 -118.57 144.31 46.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.917 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.8 ttt180 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.76 0.314 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -89.07 142.57 27.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -144.25 141.23 29.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.52 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 9.2 mtt180 -73.79 138.12 44.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -151.53 139.47 20.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -88.39 103.53 15.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.566 ' CE2' ' CD2' ' A' ' 39' ' ' TYR . 30.9 m-85 -90.81 122.26 33.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.61 139.14 54.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.127 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 31.3 tp -106.6 133.69 50.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -103.84 148.96 25.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mt -59.33 -27.64 66.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -59.26 -15.56 16.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.75 35.52 6.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.519 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.2 p -127.97 145.31 51.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.816 0.341 . . . . 0.0 111.156 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.467 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 11.2 tp -110.64 117.69 34.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.52 127.18 5.17 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.46 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.566 ' CD2' ' CE2' ' A' ' 29' ' ' PHE . 11.8 p90 -110.82 150.86 28.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.893 0.378 . . . . 0.0 110.925 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.569 ' CD2' ' HA ' ' A' ' 48' ' ' GLU . 2.4 m-85 -136.49 174.92 10.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.557 ' CD2' ' OD2' ' A' ' 47' ' ' ASP . 16.7 m-70 -77.52 -31.38 53.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.87 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 44' ' ' THR . 33.6 t0 -162.55 179.6 7.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -39.88 -27.12 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 42' ' ' ASP . 61.9 p -67.56 97.62 0.61 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.48 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . . . -70.69 -17.98 62.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -60.08 -13.91 14.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.557 ' OD2' ' CD2' ' A' ' 41' ' ' HIS . 6.7 t70 -103.93 45.18 0.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.569 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . 6.3 pt-20 -49.94 106.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -73.28 -35.72 66.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 5.1 t70 -174.85 174.27 2.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -155.62 119.65 4.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.42 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 22.6 m -115.3 164.87 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 63.1 t -90.01 136.04 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 37' ' ' LEU . 32.6 mm -107.61 -43.24 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 56' ' ' PHE . 14.5 t60 -49.3 117.54 2.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.436 ' C ' ' O ' ' A' ' 55' ' ' HIS . 19.3 m-85 35.0 47.98 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -123.52 -24.47 4.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.0 t -75.51 106.65 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.084 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.429 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 4.6 tpt180 -73.73 -38.35 64.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 59' ' ' ARG . 18.7 m-20 -162.12 171.64 17.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 83.5 mt -152.82 118.2 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.144 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -105.22 143.04 33.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.6 t -140.74 134.53 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . 61.45 -133.66 47.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.52 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 66' ' ' GLU . 45.8 tt0 -37.43 -50.14 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.735 0.302 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 65' ' ' GLN . 26.4 mt-10 -37.48 -51.21 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 81.9 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 121.544 0.56 . . . . 0.0 112.314 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 162.78 40.78 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.709 2.272 . . . . 0.0 112.301 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -66.54 131.24 45.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.51 -59.52 0.5 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.504 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -64.86 -178.98 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.792 0.33 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.1 m -123.46 164.69 18.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -56.25 -43.56 78.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -54.3 -16.94 2.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -77.23 -32.47 48.05 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 mp -46.24 151.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 110.948 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.7 tp -166.23 110.78 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.4 m -112.2 133.63 54.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 98.8 t -113.69 129.02 70.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -94.21 139.71 30.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.6 mt -117.87 145.23 44.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 88' ' ' GLU . 25.0 mtt180 -61.85 -45.15 95.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 87' ' ' ARG . 9.9 pt-20 -36.67 -47.1 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 132.73 45.11 0.13 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.468 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 t -161.55 160.37 28.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 0.0 110.847 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.1 ptt-85 -117.43 164.15 15.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.9 mt -121.92 107.46 12.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -82.69 110.65 17.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.821 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 16.2 mt -130.76 167.82 18.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.477 ' N ' ' O ' ' A' ' 15' ' ' TRP . 2.7 t -150.61 123.24 8.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -86.73 -176.94 5.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.467 ' HG2' ' N ' ' A' ' 98' ' ' THR . 24.4 pm0 -96.72 -32.66 12.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.467 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 80.5 p -135.1 151.76 51.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.165 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 30.0 ptt180 -55.82 -41.62 74.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -55.76 -51.82 66.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.77 -51.15 70.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.55 -52.35 23.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.132 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 85.9 mt -59.09 -40.76 81.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.175 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.49 -47.45 66.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.102 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.402 ' CE2' HD11 ' A' ' 14' ' ' LEU . 32.0 m95 -60.87 -47.13 87.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -50.03 -40.86 46.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 87.2 m -73.61 -44.97 55.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.2 -29.41 70.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 44.4 mt -85.41 -51.91 6.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 8.6 mmt -57.34 -32.6 66.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -68.77 -67.6 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.16 -28.56 7.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.162 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.428 ' ND2' ' HG ' ' A' ' 114' ' ' SER . 2.0 t30 -65.42 -43.53 90.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.428 ' HG ' ' ND2' ' A' ' 113' ' ' ASN . 67.1 m -114.01 42.72 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.821 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 13.4 m -157.36 105.08 1.85 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.588 0.708 . . . . 0.0 111.138 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.201 0 C-N-CA 122.689 2.259 . . . . 0.0 112.306 179.943 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.5 tp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.835 0.35 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.464 HG22 ' CD2' ' A' ' 33' ' ' LEU . 36.7 t -99.58 -60.75 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 10' ' ' ARG . 3.4 ptp180 -150.24 173.65 13.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.42 -147.45 4.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.24 159.77 10.96 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 53.2 m95 -101.03 140.99 34.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.767 0.318 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.1 mt -139.11 143.66 38.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.555 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 86.6 m95 -84.65 115.56 22.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.451 ' HB2' ' CD2' ' A' ' 94' ' ' LEU . 16.8 ttp85 -108.2 139.73 42.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.1 mtm180 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.809 0.338 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.516 ' CG ' ' HB3' ' A' ' 73' ' ' PRO . 98.8 m95 -68.19 144.09 55.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -143.43 145.82 32.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.555 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 28.0 mtm180 -76.08 124.3 27.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -140.22 132.09 27.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 46.6 t90 -91.91 104.79 17.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.551 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 47.1 m-85 -95.3 137.8 33.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.86 143.84 38.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.7 tp -96.51 148.04 23.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.95 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -116.39 156.17 27.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.464 ' CD2' HG22 ' A' ' 9' ' ' VAL . 3.2 mt -66.12 -20.29 66.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -83.92 20.13 1.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 57.28 58.32 15.17 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.498 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.1 p -145.08 153.69 41.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 0.0 111.115 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.447 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 11.5 tp -122.68 107.0 11.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.6 129.63 8.53 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.47 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -115.69 145.45 42.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.926 0.393 . . . . 0.0 110.912 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.52 ' CD2' ' HA ' ' A' ' 48' ' ' GLU . 1.2 m-85 -125.42 173.03 9.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.946 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 -63.23 -45.81 89.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -134.6 168.72 18.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -44.56 -39.5 4.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 46' ' ' GLN . 77.4 p -65.3 88.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.123 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.47 82.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 44' ' ' THR . 37.4 mt-30 -124.04 -47.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.61 73.01 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.52 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . 7.3 pt-20 -55.01 114.66 1.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -68.8 -48.12 64.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -166.32 175.95 7.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 37.9 ttp180 -144.82 122.83 12.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.4 m -119.75 126.07 74.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.9 t -57.39 140.97 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.447 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 17.1 mm -109.79 -39.68 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -58.14 122.46 13.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 37.51 41.05 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -117.6 -37.49 3.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.4 t -67.17 122.6 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.146 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.3 ttt85 -85.41 -35.65 21.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -171.5 160.86 6.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.8 mt -141.38 127.22 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.462 ' CE ' ' HB3' ' A' ' 66' ' ' GLU . 2.9 mmmm -110.39 162.65 14.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 51.1 t -149.23 149.57 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.73 -133.95 52.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 67' ' ' CYS . 44.6 tt0 -47.99 -50.07 28.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.802 0.334 . . . . 0.0 110.941 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.462 ' HB3' ' CE ' ' A' ' 62' ' ' LYS . 19.0 mt-10 -39.76 -25.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 65' ' ' GLN . 31.6 p . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 121.609 0.587 . . . . 0.0 112.321 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.516 ' HB3' ' CG ' ' A' ' 24' ' ' TRP . 54.1 Cg_endo -69.74 146.5 60.48 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.374 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -40.71 127.57 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.27 -63.11 0.54 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.435 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -55.98 174.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.782 0.325 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 74.8 m -110.38 174.7 5.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.7 mtm-85 -77.56 -33.4 54.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.02 -9.32 37.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -83.14 -20.77 60.14 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.506 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.405 ' CD2' ' SG ' ' A' ' 67' ' ' CYS . 1.8 mp -50.98 145.71 7.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.93 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 tp -161.71 110.39 1.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.1 m -112.26 144.37 41.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 46.5 t -124.39 136.35 60.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.165 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -102.24 136.06 42.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 70.4 mt -104.86 141.78 35.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -62.38 -31.0 71.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -55.85 -46.34 78.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 134.89 54.34 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.499 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 51.0 m -161.78 165.3 28.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.892 0.377 . . . . 0.0 110.799 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -123.99 158.45 32.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.849 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.0 mt -125.54 101.59 6.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -81.12 117.58 21.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.82 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.551 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 63.3 mt -137.07 163.61 30.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 37.4 t -148.05 126.01 12.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.812 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.75 173.14 7.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 98' ' ' THR . 17.6 pt-20 -76.24 -46.82 26.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.43 ' N ' ' HG3' ' A' ' 97' ' ' GLU . 82.5 p -124.8 165.04 18.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -69.11 -12.06 61.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -75.9 -54.03 7.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.99 -37.92 77.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.47 -51.43 69.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 80.3 mt -59.04 -46.35 91.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.1 -44.4 52.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 14.8 m95 -68.31 -44.19 75.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.959 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.5 tttm -57.14 -42.26 80.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 95.0 m -74.44 -45.99 42.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.85 -30.19 70.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 61.1 mt -85.05 -55.96 3.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 10.5 mmt -50.92 -33.21 23.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -73.02 -64.17 1.02 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.15 -33.26 11.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.077 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -67.91 -35.62 78.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 92.2 p -117.91 37.47 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 7.0 m -152.58 105.01 2.72 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.602 0.715 . . . . 0.0 111.155 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.168 0 C-N-CA 122.709 2.273 . . . . 0.0 112.344 179.951 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.87 0.367 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 89.6 t -85.23 -56.83 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.2 ttm-85 -165.41 148.19 7.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.55 ' HA3' ' CZ2' ' A' ' 28' ' ' TRP . . . -143.62 137.31 7.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.484 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.26 149.02 17.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.495 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 49.0 m95 -68.87 142.57 54.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.814 0.34 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.6 mt -151.29 139.51 20.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.539 ' CH2' ' CD ' ' A' ' 26' ' ' ARG . 99.1 m95 -74.83 123.34 24.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.9 ttp85 -119.1 139.3 52.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.425 ' NE2' ' CZ2' ' A' ' 24' ' ' TRP . 17.5 mt-30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.806 0.336 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.425 ' CZ2' ' NE2' ' A' ' 17' ' ' GLN . 98.6 m95 -74.92 131.78 40.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -125.42 150.28 47.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.539 ' CD ' ' CH2' ' A' ' 15' ' ' TRP . 36.4 mtm180 -92.28 119.57 31.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -139.46 169.91 16.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.55 ' CZ2' ' HA3' ' A' ' 11' ' ' GLY . 13.2 t-105 -113.74 117.54 31.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -107.3 130.67 54.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.47 136.42 36.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.071 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 30.3 tp -95.11 146.7 24.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -112.27 163.92 13.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mt -71.82 -20.96 61.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -80.22 11.28 3.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.41 55.57 22.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.9 p -141.2 136.65 31.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.841 0.353 . . . . 0.0 111.152 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.449 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 8.5 tp -107.16 107.6 18.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.83 141.46 16.0 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.505 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -123.37 141.15 52.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.925 0.393 . . . . 0.0 110.911 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.484 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 1.4 m-85 -124.06 159.6 29.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -56.99 -45.38 83.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -104.39 163.07 12.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -50.0 -38.21 36.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.93 -178.89 6.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.161 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.484 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -106.65 95.93 6.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -125.39 -46.02 1.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.82 74.24 0.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -40.36 132.37 2.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -103.37 -54.85 2.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -164.58 175.16 10.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.7 ttm105 -154.87 121.3 5.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.7 m -113.79 128.65 70.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.174 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.7 t -57.03 137.3 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.449 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 23.1 mm -107.38 -38.94 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 56' ' ' PHE . 8.6 t-80 -46.84 116.8 1.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 55' ' ' HIS . 86.7 m-85 36.66 41.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -126.81 16.57 7.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 69.6 t -111.12 102.92 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -59.66 -60.52 3.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -161.63 144.78 12.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 86.0 mt -116.76 121.61 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.442 ' HB3' ' CB ' ' A' ' 66' ' ' GLU . 76.8 mttt -102.74 155.39 18.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.6 t -149.06 132.97 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.099 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.57 -125.05 9.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 66' ' ' GLU . 27.9 mt-30 -58.95 -47.24 85.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.725 0.297 . . . . 0.0 110.917 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.442 ' CB ' ' HB3' ' A' ' 62' ' ' LYS . 41.6 mt-10 -35.21 -45.14 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.9 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 121.599 0.583 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -163.69 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.335 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -77.01 130.82 37.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.839 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.28 -55.01 3.21 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.454 ' N ' ' CD ' ' A' ' 76' ' ' ARG . 5.5 mpt_? -60.56 175.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.809 0.338 . . . . 0.0 110.889 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 t -135.68 -178.31 5.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.1 mmm-85 -75.06 -1.0 20.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -102.07 15.76 28.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.805 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -124.97 -22.72 1.91 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.2 mp -46.39 153.39 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.825 0.345 . . . . 0.0 110.935 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.5 tp -164.15 112.64 1.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.412 HG23 ' N ' ' A' ' 84' ' ' VAL . 88.5 m -117.64 137.58 52.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.412 ' N ' HG23 ' A' ' 83' ' ' THR . 47.2 t -116.99 149.87 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -120.04 130.08 54.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.8 mt -105.17 149.9 25.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 34.8 mtt180 -71.97 -26.97 62.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -60.79 -15.39 29.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.74 53.46 0.98 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.518 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 m -168.02 146.61 4.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.889 0.376 . . . . 0.0 110.853 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.4 mtm180 -115.2 170.69 8.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.803 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.0 mt -132.27 103.3 6.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -79.2 97.28 6.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.2 mt -114.57 164.84 13.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 8.8 t -147.72 121.57 9.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -88.0 175.88 7.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.462 ' HG2' ' N ' ' A' ' 98' ' ' THR . 0.8 OUTLIER -90.06 -31.79 17.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.462 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 77.1 p -137.42 160.34 39.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.147 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -62.37 -41.21 98.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.836 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -55.45 -53.45 56.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.67 -46.43 81.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.62 -57.39 10.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 46.7 mt -49.23 -45.63 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -47.97 -54.49 12.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -56.37 -45.69 80.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 66.5 tttt -53.02 -46.98 68.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 37.5 m -72.03 -39.0 69.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.165 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.66 -31.44 72.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 53.5 mt -88.62 -47.63 8.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 8.2 mmt -56.33 -38.6 71.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -66.03 -62.31 1.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.48 -42.25 64.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.107 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.02 -33.17 70.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.865 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 48.5 m -121.7 44.48 2.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 92.7 m -166.16 111.48 0.73 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.549 0.69 . . . . 0.0 111.143 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.147 0 C-N-CA 122.691 2.261 . . . . 0.0 112.352 179.935 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 tt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.833 0.349 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.434 HG21 ' CD2' ' A' ' 33' ' ' LEU . 87.5 t -97.57 -61.88 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.8 tpm_? -135.91 144.57 45.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -150.23 107.45 0.35 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.532 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -147.94 161.87 28.64 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.445 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 58.3 m95 -80.5 133.15 35.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.783 0.325 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.412 HD13 ' NE1' ' A' ' 105' ' ' TRP . 25.7 mt -140.72 139.34 34.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.559 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 94.3 m95 -76.02 119.13 19.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.403 ' O ' ' CD ' ' A' ' 25' ' ' LYS . 24.8 ttp85 -110.36 149.18 30.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.911 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.816 0.341 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.599 ' CH2' ' SG ' ' A' ' 95' ' ' CYS . 99.8 m95 -78.71 147.67 33.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -154.39 143.31 21.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.559 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 37.0 mtt180 -75.45 122.98 24.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -134.66 155.29 50.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.42 ' CE3' ' HA ' ' A' ' 43' ' ' GLU . 37.2 t90 -106.74 106.13 16.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 39' ' ' TYR . 33.6 m-85 -96.3 141.1 30.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.25 127.96 18.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.423 ' CD1' HG13 ' A' ' 54' ' ' ILE . 17.8 tp -91.73 138.48 31.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 62.3 m95 -105.21 164.23 11.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.434 ' CD2' HG21 ' A' ' 9' ' ' VAL . 3.4 mt -76.87 -33.23 57.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.2 p30 -55.78 -22.8 26.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.01 40.82 2.38 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.453 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.4 p -133.68 155.72 49.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.368 . . . . 0.0 111.111 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.466 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . 12.7 tp -125.9 116.74 21.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.77 139.01 11.45 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.493 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.561 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 28.3 p90 -122.49 118.14 27.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.903 0.383 . . . . 0.0 110.871 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.508 ' CG ' ' HA ' ' A' ' 45' ' ' ALA . 5.7 m-85 -109.68 168.1 9.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -55.79 -54.87 39.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.806 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -124.61 177.23 6.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.42 ' HA ' ' CE3' ' A' ' 28' ' ' TRP . 1.2 pm0 -61.7 -21.68 64.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.2 p -59.03 -24.59 62.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.169 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.508 ' HA ' ' CG ' ' A' ' 40' ' ' TYR . . . 52.84 43.76 31.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.075 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -84.95 -53.14 5.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -90.78 104.71 17.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.469 ' HG3' ' CE2' ' A' ' 40' ' ' TYR . 10.7 tt0 -78.05 100.6 6.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -67.48 -49.92 61.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -169.56 172.12 7.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 51' ' ' ARG . 17.3 ttp-105 -146.76 125.07 12.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.851 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.466 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 27.3 m -117.16 126.03 74.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.5 t -59.84 139.66 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.082 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.458 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 22.4 mm -107.09 -41.23 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 56' ' ' PHE . 7.8 t60 -43.17 108.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 55' ' ' HIS . 64.9 m-85 36.84 47.99 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -124.92 11.34 8.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 70.5 t -101.18 134.85 40.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -98.39 -35.96 10.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -174.54 158.83 2.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.419 ' CG2' ' HG3' ' A' ' 106' ' ' LYS . 97.1 mt -141.6 118.19 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -107.05 140.25 40.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 90.0 t -131.26 135.33 59.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.92 -133.89 43.56 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.41 ' HG3' ' N ' ' A' ' 66' ' ' GLU . 22.8 pt20 -42.9 -46.89 5.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.317 . . . . 0.0 110.857 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' A' ' 65' ' ' GLN . 25.8 mt-10 -40.03 -50.58 2.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 36.1 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 -179.919 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 121.552 0.563 . . . . 0.0 112.392 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.415 ' HB3' ' CG ' ' A' ' 24' ' ' TRP . 53.5 Cg_endo -69.76 165.88 29.48 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.361 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -57.1 133.34 54.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.75 -62.71 1.6 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.464 ' N ' ' HD2' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -51.52 -174.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 110.849 -179.852 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.8 m -131.25 166.23 21.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -60.19 -47.58 85.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -57.56 -31.59 66.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -59.47 -34.13 79.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.3 mp -39.04 146.52 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.863 0.363 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.0 tp -162.67 110.97 1.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 98.8 m -116.09 132.61 56.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.45 HG11 ' N ' ' A' ' 85' ' ' ASN . 48.0 t -109.61 139.9 30.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.45 ' N ' HG11 ' A' ' 84' ' ' VAL . 5.9 m-80 -112.25 137.88 49.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 88.0 mt -103.26 139.52 38.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -49.53 -29.73 7.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 89' ' ' GLY . 16.4 pt-20 -65.63 -46.12 80.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.428 ' N ' ' HG3' ' A' ' 88' ' ' GLU . . . 150.42 -52.17 0.52 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 75.4 p -56.85 143.21 38.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 110.854 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -114.44 177.36 4.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.6 mt -133.36 125.04 28.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -96.91 110.09 22.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.819 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.549 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 12.2 mt -133.93 160.65 37.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.599 ' SG ' ' CH2' ' A' ' 24' ' ' TRP . 22.1 m -138.03 148.58 45.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -118.63 166.15 13.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -67.29 -50.44 60.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 82.3 p -133.71 166.98 21.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -62.31 -40.01 94.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.04 -58.25 7.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.92 -40.91 85.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.66 -50.47 73.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 29.9 mt -54.3 -41.9 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.74 -44.13 58.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.412 ' NE1' HD13 ' A' ' 14' ' ' LEU . 27.4 m95 -64.7 -46.1 83.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.419 ' HG3' ' CG2' ' A' ' 61' ' ' ILE . 35.0 tttt -53.18 -43.48 67.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 90.6 m -74.04 -43.77 56.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.137 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.67 -32.29 71.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.11 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 65.9 mt -84.97 -50.73 7.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 8.5 mmt -54.94 -43.97 73.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -56.42 -64.14 0.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.12 -41.23 62.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.084 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -61.15 -34.69 75.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.5 p -117.39 35.11 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.412 ' HA ' ' HD2' ' A' ' 116' ' ' PRO . 54.3 m -151.22 104.95 2.96 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.537 0.684 . . . . 0.0 111.193 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 115' ' ' THR . 53.3 Cg_endo . . . . . 0 C--N 1.341 0.159 0 C-N-CA 122.686 2.258 . . . . 0.0 112.307 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.3 tp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.847 0.356 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.427 HG22 ' CD2' ' A' ' 33' ' ' LEU . 98.5 t -98.09 -57.85 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.5 ttt85 -166.9 148.67 6.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -125.71 -159.93 10.47 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.443 ' N ' ' CZ3' ' A' ' 28' ' ' TRP . . . 133.31 126.72 2.71 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.543 ' CH2' ' HA ' ' A' ' 42' ' ' ASP . 72.2 m95 -63.95 133.22 52.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.816 0.341 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.439 HD13 ' NE1' ' A' ' 105' ' ' TRP . 18.1 mt -136.93 141.96 42.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.563 ' CZ3' ' HG3' ' A' ' 26' ' ' ARG . 87.6 m95 -76.59 116.48 17.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.8 ttt85 -109.49 134.59 51.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.5 ttt-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.84 0.352 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -77.09 139.76 40.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.3 pttt -136.2 143.02 44.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.563 ' HG3' ' CZ3' ' A' ' 15' ' ' TRP . 1.7 mtp-105 -74.42 126.68 31.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -142.94 131.45 22.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.443 ' CZ3' ' N ' ' A' ' 12' ' ' GLY . 24.6 t-105 -90.99 104.52 17.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.529 ' CD2' ' HB3' ' A' ' 39' ' ' TYR . 26.3 m-85 -90.39 139.65 30.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.85 125.44 17.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.9 tp -91.79 134.35 34.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 76.2 m95 -102.35 153.23 20.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.427 ' CD2' HG22 ' A' ' 9' ' ' VAL . 2.8 mt -62.08 -33.82 75.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -53.11 -22.08 5.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.86 38.7 3.32 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 33.2 p -132.23 158.94 40.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 111.142 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.467 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 13.3 tp -127.1 118.31 24.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.91 137.33 9.54 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.482 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.529 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 34.2 p90 -120.86 117.15 26.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.897 0.38 . . . . 0.0 110.92 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.498 ' CE1' ' HB2' ' A' ' 45' ' ' ALA . 3.5 m-85 -98.76 173.66 6.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.538 ' CE1' ' OD2' ' A' ' 42' ' ' ASP . 0.5 OUTLIER -57.65 -40.78 80.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.543 ' HA ' ' CH2' ' A' ' 13' ' ' TRP . 21.1 p30 -144.11 178.5 7.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -44.7 -52.64 8.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.3 p -65.74 93.79 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.498 ' HB2' ' CE1' ' A' ' 40' ' ' TYR . . . -56.98 95.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -123.78 -43.69 2.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -101.2 84.42 2.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -58.38 93.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -66.51 -47.11 74.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -168.83 175.74 5.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 21.4 ttp180 -152.37 118.9 5.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.445 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 35.9 m -112.85 129.64 68.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 98.6 t -62.7 139.89 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.467 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 19.4 mm -107.35 -41.31 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.431 ' O ' ' C ' ' A' ' 56' ' ' PHE . 9.5 t60 -41.85 114.01 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 55' ' ' HIS . 63.6 m-85 35.69 43.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -121.64 15.64 11.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.8 t -106.96 119.61 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.8 ttt180 -85.47 -48.48 8.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -157.62 167.84 28.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 98.2 mt -149.68 111.19 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -103.43 144.02 31.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.4 t -136.9 131.93 47.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.11 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.83 -122.32 11.69 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.479 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 66' ' ' GLU . 25.0 mt-30 -57.57 -49.68 75.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.746 0.308 . . . . 0.0 110.927 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 65' ' ' GLN . 29.8 mt-10 -34.29 -45.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.7 t . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.882 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 121.594 0.581 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 179.77 3.5 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.683 2.256 . . . . 0.0 112.329 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -70.15 134.2 47.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.56 -64.54 1.85 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.529 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -58.08 172.1 0.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.346 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.2 m -119.62 164.91 15.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -57.23 -48.59 78.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.3 -31.08 2.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.26 -36.12 92.99 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.0 mp -39.02 146.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.5 tp -163.13 110.37 1.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.427 HG21 ' N ' ' A' ' 84' ' ' VAL . 85.0 m -118.06 137.5 52.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.427 ' N ' HG21 ' A' ' 83' ' ' THR . 58.6 t -116.52 133.11 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -99.28 137.32 37.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 89.5 mt -109.84 145.88 36.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 88' ' ' GLU . 14.1 mmm180 -57.8 -50.57 72.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 87' ' ' ARG . 9.5 pt-20 -36.79 -46.17 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 129.86 51.64 0.11 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.2 t -159.2 146.85 17.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.886 0.374 . . . . 0.0 110.795 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.3 ptt-85 -109.46 157.18 19.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.5 mt -117.42 106.0 12.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -78.21 120.94 23.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.425 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 27.8 mt -147.04 160.14 42.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 37.6 t -148.18 124.95 11.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.05 178.6 5.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -75.72 -35.72 60.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 77.5 p -146.4 175.85 10.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.445 ' HG3' ' N ' ' A' ' 100' ' ' ASP . 23.2 ptt180 -67.94 -42.41 81.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.445 ' N ' ' HG3' ' A' ' 99' ' ' ARG . 0.3 OUTLIER -47.93 -59.34 3.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.13 -42.31 76.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.33 -50.19 74.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 74.9 mt -52.44 -46.69 47.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -47.12 -49.45 22.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.04 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.439 ' NE1' HD13 ' A' ' 14' ' ' LEU . 33.5 m95 -61.9 -46.54 88.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.6 tttm -51.23 -43.47 61.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.935 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 88.4 m -73.09 -41.06 64.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.15 -32.16 72.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.057 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 37.5 mt -85.71 -44.53 12.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 12.6 mmt -62.82 -37.34 86.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -64.61 -64.61 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.07 -36.95 31.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.01 -37.36 78.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 59.8 p -111.87 32.81 5.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.411 ' HA ' ' HD2' ' A' ' 116' ' ' PRO . 98.9 m -151.79 105.01 2.86 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.571 0.7 . . . . 0.0 111.124 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 115' ' ' THR . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.373 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.452 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 8.9 tp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.856 0.36 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 91.6 t -100.21 -59.25 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -151.31 160.88 43.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -149.06 150.86 23.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.65 126.43 0.86 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 79.1 m95 -53.67 132.91 41.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.82 0.343 . . . . 0.0 110.907 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.5 mt -133.1 154.3 50.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -93.24 116.96 29.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.425 ' HB2' ' CD2' ' A' ' 94' ' ' LEU . 37.7 ttp85 -111.38 134.33 53.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.907 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.803 0.335 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -64.08 143.56 57.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.44 153.12 46.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -81.03 133.91 35.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -153.58 141.29 20.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.448 ' CZ3' ' HB3' ' A' ' 30' ' ' ALA . 49.3 t90 -96.48 101.69 13.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.465 ' CE1' HD21 ' A' ' 94' ' ' LEU . 44.7 m-85 -84.03 126.51 33.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.452 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . . . -127.89 125.14 39.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.106 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.0 tp -93.71 135.85 34.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -105.38 138.18 41.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.464 ' N ' HD23 ' A' ' 33' ' ' LEU . 3.0 mt -52.29 -24.61 7.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -61.68 -8.65 4.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.53 34.81 11.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.6 p -130.77 151.17 51.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.841 0.353 . . . . 0.0 111.173 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.454 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 10.2 tp -119.36 116.82 26.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.14 133.69 8.32 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.534 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -119.04 120.81 38.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.901 0.381 . . . . 0.0 110.933 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.424 ' N ' ' CD1' ' A' ' 40' ' ' TYR . 3.5 m-85 -109.44 171.06 7.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -55.91 -52.24 64.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -129.09 173.29 10.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.444 ' HA ' ' CE3' ' A' ' 28' ' ' TRP . 24.8 mt-10 -53.26 -42.26 66.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.4 p -44.71 -37.74 3.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.42 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . . . 62.91 48.9 3.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -85.33 -36.64 20.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -105.72 107.12 17.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -75.2 115.27 14.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -83.3 -59.58 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -159.56 169.37 23.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -141.98 119.56 11.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.424 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 27.1 m -112.84 131.69 63.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 66.9 t -65.22 137.51 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.454 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 29.7 mm -105.74 -41.55 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -54.93 120.13 6.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 38.32 47.56 1.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -124.73 -36.44 2.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 88.4 t -70.26 115.87 10.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -80.32 -46.55 15.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -154.96 163.76 39.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.421 ' CG2' ' HG3' ' A' ' 106' ' ' LYS . 97.0 mt -147.41 136.56 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.449 ' HB3' ' CB ' ' A' ' 66' ' ' GLU . 40.9 mttp -125.23 140.54 52.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.6 t -135.11 129.45 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.67 -130.33 20.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.476 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -44.98 -47.66 11.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.767 0.318 . . . . 0.0 110.934 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.449 ' CB ' ' HB3' ' A' ' 62' ' ' LYS . 22.0 mt-10 -40.09 -50.86 2.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 90.7 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.85 -179.932 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.467 ' HB3' ' CD1' ' A' ' 81' ' ' LEU . 54.6 Cg_endo . . . . . 0 C--O 1.231 0.135 0 CA-C-O 121.581 0.576 . . . . 0.0 112.35 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 170.1 17.41 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.698 2.265 . . . . 0.0 112.343 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -60.29 130.17 45.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.66 -57.42 1.34 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.506 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.471 ' HD2' ' N ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -51.11 -175.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 110.885 -179.894 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 62.5 m -125.29 169.45 12.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.1 mtt180 -72.29 -42.45 65.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.93 -33.21 72.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -55.7 -36.2 64.63 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 72' ' ' PRO . 4.4 mp -38.79 142.84 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.823 0.344 . . . . 0.0 110.917 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.2 tp -152.39 116.07 4.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.2 m -118.12 123.17 44.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.445 HG13 ' N ' ' A' ' 85' ' ' ASN . 57.7 t -106.35 142.55 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.134 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.445 ' N ' HG13 ' A' ' 84' ' ' VAL . 2.8 m-80 -112.92 130.23 56.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.5 mt -98.32 160.46 14.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -87.37 -18.36 30.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 89' ' ' GLY . 0.5 OUTLIER -68.99 -44.96 71.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.899 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.448 ' N ' ' OE1' ' A' ' 88' ' ' GLU . . . 139.01 57.48 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.442 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -172.66 163.55 5.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.884 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.9 ptp85 -128.01 161.19 29.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.9 mt -120.99 123.75 43.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -99.35 109.72 22.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.465 HD21 ' CE1' ' A' ' 29' ' ' PHE . 32.7 mt -132.16 172.02 12.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 52.8 t -150.31 126.25 10.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -95.83 153.65 17.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.099 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -47.4 -55.94 7.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 68.5 p -132.32 173.99 10.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 -61.08 -39.97 91.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -54.69 -55.43 29.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.59 -46.14 89.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.8 -53.19 58.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.085 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 19.1 mt -52.13 -45.86 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.158 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -46.2 -61.93 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 38.6 m95 -51.7 -43.49 62.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.421 ' HG3' ' CG2' ' A' ' 61' ' ' ILE . 15.5 tttt -54.28 -46.01 72.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 53.0 m -72.43 -42.18 65.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.145 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.64 -32.92 72.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 60.7 mt -81.07 -51.17 8.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 6.6 mmt -54.4 -43.56 71.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -61.39 -66.97 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.23 -36.74 21.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.154 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -62.51 -40.38 96.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 65.8 m -115.52 49.42 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.84 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 98.4 m -166.79 112.05 0.68 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.602 0.715 . . . . 0.0 111.15 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.199 0 C-N-CA 122.703 2.269 . . . . 0.0 112.346 179.945 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 24.4 tp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.883 0.373 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.3 t -93.91 -59.5 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.101 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -158.95 147.54 18.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -120.13 -158.62 10.6 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 126.69 160.93 10.74 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.519 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 33.3 m95 -97.49 141.38 30.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 mt -143.32 143.84 31.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.962 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.434 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 75.7 m95 -74.12 118.13 16.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.7 ttp85 -108.99 134.22 51.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.931 -179.932 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.0 mtt-85 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.779 0.324 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.597 ' CH2' ' SG ' ' A' ' 95' ' ' CYS . 92.3 m95 -74.77 147.41 41.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -142.47 138.23 30.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.434 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 21.2 mtp180 -71.07 137.76 49.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.822 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -149.63 176.27 10.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.51 ' CG ' ' HA ' ' A' ' 43' ' ' GLU . 73.0 t90 -127.18 106.2 9.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.966 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.478 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 11.2 m-85 -94.31 149.2 21.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -150.29 127.63 11.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 51.8 tp -92.14 136.99 32.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -109.23 147.96 31.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.0 mt -58.36 -24.33 59.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -67.41 -5.98 17.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.27 47.6 8.12 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.454 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.4 p -139.99 130.97 26.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 111.139 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.46 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 10.9 tp -99.19 107.55 19.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.57 128.63 7.54 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.462 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 50' ' ' ASP . 11.2 p90 -114.9 142.1 47.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.884 0.373 . . . . 0.0 110.939 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.485 ' CD2' ' HA ' ' A' ' 48' ' ' GLU . 3.2 m-85 -124.6 155.7 38.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 62.1 m-70 -45.14 -59.68 2.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -100.83 -176.49 3.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.51 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 8.0 pt-20 -84.31 15.18 3.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.4 p -124.03 125.63 44.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.59 87.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -133.45 -46.49 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -113.74 86.04 2.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.485 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . 23.9 tt0 -56.85 123.21 14.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -94.61 -52.63 4.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 2.9 m-20 -165.83 171.31 12.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -155.35 128.41 8.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.7 m -120.72 141.81 39.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 92.9 t -66.32 137.35 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.46 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 27.7 mm -107.81 -42.51 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 56' ' ' PHE . 6.5 t-160 -51.66 121.63 6.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.877 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 55' ' ' HIS . 57.9 m-85 36.14 48.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -125.64 -29.93 3.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 40.8 t -69.41 112.81 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.4 ttt85 -80.2 -38.87 30.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -165.52 166.45 18.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.9 mt -147.69 120.02 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -103.36 152.59 21.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 29.9 t -149.12 135.89 12.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.89 -144.65 40.27 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 66' ' ' GLU . 37.5 tp60 -42.32 -38.91 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.782 0.325 . . . . 0.0 110.918 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 65' ' ' GLN . 12.4 mt-10 -34.25 -36.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 65' ' ' GLN . 16.0 p . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 121.543 0.559 . . . . 0.0 112.362 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.469 ' HG2' ' CG ' ' A' ' 76' ' ' ARG . 54.2 Cg_endo -69.72 153.72 68.77 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.707 2.272 . . . . 0.0 112.333 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -61.77 127.73 32.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.69 -48.28 1.03 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.526 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.469 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 7.5 mmt180 -68.92 -173.0 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.815 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.436 ' OG ' ' N ' ' A' ' 78' ' ' ARG . 1.5 t -118.6 174.78 6.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.436 ' N ' ' OG ' ' A' ' 77' ' ' SER . 38.8 mtm180 -85.24 -9.66 57.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -83.33 -14.15 53.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -87.06 -14.17 64.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.4 mp -55.91 124.97 19.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.837 0.351 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.3 tp -137.87 122.25 18.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.9 m -120.72 134.52 55.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.104 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.418 HG11 ' N ' ' A' ' 85' ' ' ASN . 48.1 t -118.53 138.61 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.418 ' N ' HG11 ' A' ' 84' ' ' VAL . 2.7 m-80 -107.76 134.66 50.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.3 mt -111.81 150.79 29.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.963 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -66.05 -32.9 74.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -58.11 -16.49 13.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.91 67.54 1.05 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.4 t -174.64 127.4 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.827 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.0 ptt-85 -93.63 153.01 18.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 mt -110.86 127.66 55.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -97.41 99.71 11.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.478 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 29.7 mt -128.43 161.17 30.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.963 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.597 ' SG ' ' CH2' ' A' ' 24' ' ' TRP . 11.8 m -144.57 145.18 31.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -113.32 171.85 7.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -72.03 -49.56 35.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 80.9 p -130.77 167.96 18.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.154 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -56.28 -43.15 78.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.59 -63.67 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.19 -48.68 34.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.03 -50.37 66.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 66.9 mt -62.45 -47.18 94.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -46.83 -49.27 20.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -61.37 -45.28 95.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -52.6 -39.23 61.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 67.6 m -72.89 -37.99 67.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.85 -27.08 63.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 20.6 mt -88.63 -45.42 9.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 11.0 mmt -63.14 -30.34 71.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -75.47 -64.17 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -51.72 -31.74 27.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.089 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.71 -40.24 80.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.2 t -115.13 44.72 1.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 98.4 m -163.36 106.6 0.98 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.584 0.707 . . . . 0.0 111.118 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.74 2.293 . . . . 0.0 112.349 179.918 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.1 tp . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.811 0.339 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 82.6 t -110.64 -58.1 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.5 ttt85 -152.95 161.55 42.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -150.35 -175.81 22.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.452 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 144.32 176.51 18.4 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -101.6 135.33 43.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.769 0.318 . . . . 0.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.436 HD11 ' NE1' ' A' ' 105' ' ' TRP . 9.9 mt -139.22 148.32 42.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.56 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 86.3 m95 -82.22 120.29 25.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.0 ttp85 -108.47 140.18 42.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.927 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.8 mtp180 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.8 0.333 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.446 ' CE2' ' HD3' ' A' ' 73' ' ' PRO . 95.8 m95 -77.59 145.49 36.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.31 140.22 30.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.56 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 37.8 mtm180 -74.36 132.44 42.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -149.43 150.75 32.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 24.2 t-105 -100.72 119.38 38.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.537 ' CZ ' HD23 ' A' ' 94' ' ' LEU . 18.1 m-85 -105.35 149.02 26.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.94 126.65 9.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.5 tp -92.8 133.73 35.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -102.35 146.31 28.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.955 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.0 mt -54.72 -29.46 53.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.37 -15.49 10.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.79 38.13 5.89 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.442 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.2 p -131.69 161.6 32.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 111.125 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.448 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 13.4 tp -123.15 111.33 16.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.08 116.34 2.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -105.05 136.58 44.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.846 0.355 . . . . 0.0 110.91 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.547 ' CE2' ' HB3' ' A' ' 45' ' ' ALA . 1.0 OUTLIER -116.64 175.62 5.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.21 -49.42 69.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -146.74 -175.45 4.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -41.03 -39.64 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.9 p -68.63 102.45 1.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.547 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . . . -78.48 49.6 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -106.28 -25.98 11.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 48' ' ' GLU . 9.0 m-20 -101.3 46.05 0.95 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 47' ' ' ASP . 40.0 tt0 -34.44 113.5 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.8 -54.08 6.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -165.63 -179.44 5.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -156.08 128.54 7.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.6 m -126.08 130.27 72.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.417 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 60.9 t -58.02 137.47 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.448 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 14.8 mm -107.88 -42.62 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 56' ' ' PHE . 6.5 t-160 -50.93 122.74 7.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' HIS . 86.5 m-85 37.18 35.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 53' ' ' VAL . 11.4 t30 -111.61 -31.33 7.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.3 t -68.42 107.71 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.9 ttt-85 -79.72 -39.82 30.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -158.21 167.43 29.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 59.6 mt -150.86 115.66 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -103.38 139.97 38.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 54.3 t -139.92 130.68 31.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.87 -136.82 33.39 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -40.12 -40.78 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.759 0.314 . . . . 0.0 110.9 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -38.68 -54.13 1.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.931 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 N--CA 1.465 -0.181 0 CA-C-O 121.589 0.579 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.446 ' HD3' ' CE2' ' A' ' 24' ' ' TRP . 54.1 Cg_endo -69.67 144.63 55.14 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.698 2.265 . . . . 0.0 112.364 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -54.33 136.08 43.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.72 -58.51 1.85 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.478 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.447 ' NE ' ' N ' ' A' ' 76' ' ' ARG . 3.9 mmp_? -55.03 -173.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 110.857 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 p -125.02 167.41 14.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -75.83 -14.71 60.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.841 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.38 10.24 5.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -107.54 -25.32 6.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.3 mp -42.77 131.51 4.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.363 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.1 tp -152.84 121.91 6.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 98.3 m -125.91 135.18 51.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 90.2 t -114.48 127.92 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -94.3 128.33 40.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.3 mt -104.23 149.01 25.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 88' ' ' GLU . 27.5 mtt180 -64.56 -48.04 76.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 89' ' ' GLY . 11.7 pt-20 -38.08 -42.9 0.69 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.415 ' N ' ' HG3' ' A' ' 88' ' ' GLU . . . 124.12 53.38 0.19 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.469 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.5 m -162.92 127.05 2.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 0.0 110.857 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.3 ptt-85 -89.93 152.24 21.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.6 mt -115.56 102.08 9.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -78.44 105.01 9.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.537 HD23 ' CZ ' ' A' ' 29' ' ' PHE . 58.5 mt -127.59 167.88 15.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 27.2 t -151.7 139.02 19.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -103.79 175.4 5.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -79.77 -45.81 18.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 67.4 p -131.81 165.53 23.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -55.85 -43.89 77.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.87 -65.17 0.61 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -48.73 -50.79 32.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.3 -57.31 9.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.096 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 20.0 mt -54.76 -46.48 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.177 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -46.69 -53.78 10.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.057 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.436 ' NE1' HD11 ' A' ' 14' ' ' LEU . 32.8 m95 -58.78 -44.68 90.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -53.45 -50.09 66.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.907 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 31.9 m -66.58 -44.17 82.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.73 -28.55 69.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 40.1 mt -84.88 -52.17 6.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 14.3 mmt -53.13 -31.29 41.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -74.7 -70.06 0.43 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.26 -26.82 3.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -71.76 -40.58 69.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 50.6 m -120.16 44.7 2.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.406 ' HA ' ' HD2' ' A' ' 116' ' ' PRO . 17.1 m -151.93 104.99 2.83 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.612 0.72 . . . . 0.0 111.141 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 115' ' ' THR . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.212 0 C-N-CA 122.671 2.247 . . . . 0.0 112.316 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.431 ' HG ' ' N ' ' A' ' 9' ' ' VAL . 12.5 tp . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.859 0.361 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.431 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 44.2 t -114.73 -57.44 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.2 ttt-85 -149.68 152.84 36.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.83 88.83 0.15 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.514 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -127.25 148.77 17.57 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 54.6 m95 -70.8 151.99 44.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.752 0.31 . . . . 0.0 110.952 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.444 HD13 ' CD1' ' A' ' 105' ' ' TRP . 70.8 mt -153.5 137.41 16.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.518 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 98.1 m95 -77.9 120.99 23.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.5 ttp85 -111.22 138.7 47.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.923 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.41 ' HG2' ' N ' ' A' ' 24' ' ' TRP . 35.7 ttt180 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.783 0.325 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.425 ' CE2' ' HD3' ' A' ' 73' ' ' PRO . 92.6 m95 -78.26 132.57 37.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -128.96 145.57 51.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.518 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 15.3 mtm105 -74.68 139.85 43.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -150.87 138.3 19.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 28.5 t90 -94.86 99.58 11.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.434 ' CD2' ' HB3' ' A' ' 39' ' ' TYR . 51.5 m-85 -90.19 134.16 34.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.86 130.13 33.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.7 tp -96.58 134.16 40.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -104.15 152.66 21.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.409 ' N ' HD21 ' A' ' 33' ' ' LEU . 3.2 mt -59.01 -32.75 69.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -56.7 -21.54 28.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.44 39.15 3.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.452 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.8 p -128.34 155.42 44.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.778 0.323 . . . . 0.0 111.169 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.439 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 10.3 tp -121.54 111.18 16.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.09 132.51 9.41 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 50' ' ' ASP . 20.5 p90 -117.29 130.17 56.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.888 0.375 . . . . 0.0 110.922 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.52 ' CD2' ' HA ' ' A' ' 45' ' ' ALA . 2.7 m-85 -115.76 177.08 4.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -70.17 -63.26 1.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 44' ' ' THR . 17.5 t70 -126.71 176.93 6.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.23 -28.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 42' ' ' ASP . 63.2 p -73.97 106.93 5.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.136 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.52 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . . . -85.62 47.15 1.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -103.44 -14.69 16.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -114.56 66.4 0.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -54.54 107.44 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -75.68 -43.14 48.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 4.5 t70 -169.33 172.11 7.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.84 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -154.52 118.43 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.41 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 27.4 m -109.45 166.02 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.3 t -90.67 136.7 23.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.439 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 15.0 mm -108.19 -38.96 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.147 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -57.97 119.37 6.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.432 ' CE1' ' HA ' ' A' ' 114' ' ' SER . 61.7 m-85 38.23 45.59 0.79 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.416 ' HA ' ' CD ' ' A' ' 87' ' ' ARG . 6.8 t30 -121.73 -32.12 3.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 87.7 t -72.26 123.04 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.132 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -85.52 -42.71 14.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -165.37 155.8 13.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 77.6 mt -137.69 134.52 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.411 ' C ' HG21 ' A' ' 63' ' ' VAL . 18.8 mmmt -120.59 161.6 21.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.411 HG21 ' C ' ' A' ' 62' ' ' LYS . 80.7 t -145.01 134.57 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.91 -131.67 36.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 66' ' ' GLU . 13.6 pt20 -41.56 -54.0 3.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.747 0.308 . . . . 0.0 110.915 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.425 ' N ' ' HG3' ' A' ' 65' ' ' GLN . 4.4 mm-40 -38.92 -50.13 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.904 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.465 -0.159 0 CA-C-O 121.572 0.572 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.425 ' HD3' ' CE2' ' A' ' 24' ' ' TRP . 53.7 Cg_endo -69.78 155.26 66.33 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.637 2.225 . . . . 0.0 112.33 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -53.32 146.81 11.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.31 -48.65 4.09 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.449 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.44 ' N ' ' HD2' ' A' ' 76' ' ' ARG . 0.7 OUTLIER -71.32 -175.54 1.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.816 0.341 . . . . 0.0 110.908 -179.871 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.3 m -133.94 157.84 44.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -49.27 -51.62 32.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -44.27 -34.07 1.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -58.84 -37.88 91.35 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.488 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 80' ' ' GLY . 4.2 mp -35.08 143.65 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.784 0.326 . . . . 0.0 110.97 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.0 tp -163.03 111.25 1.27 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.0 m -118.24 145.34 45.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 97.7 t -124.57 129.01 73.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -93.45 143.12 26.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 57.5 mt -112.36 151.39 29.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.416 ' CD ' ' HA ' ' A' ' 57' ' ' ASN . 15.5 ptm180 -73.1 -27.69 61.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.15 -32.63 74.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 120.57 61.03 0.24 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.458 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.4 m -170.56 151.25 3.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.368 . . . . 0.0 110.856 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -116.22 153.19 32.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.2 mt -111.97 105.66 14.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -79.26 112.15 16.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.2 mt -137.93 167.61 21.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 32.6 t -150.27 136.56 18.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -105.82 155.37 19.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.053 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -55.93 -47.13 78.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 71.2 p -129.48 177.93 6.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.133 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -73.97 -26.12 60.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -67.12 -57.43 6.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.81 -35.22 66.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.66 -54.66 42.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 40.6 mt -53.21 -45.32 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -44.32 -50.66 8.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.444 ' CD1' HD13 ' A' ' 14' ' ' LEU . 47.3 m95 -64.99 -40.64 95.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.4 tttm -58.99 -46.37 88.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 87.3 m -72.35 -44.36 62.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.15 -28.37 69.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 41.9 mt -86.61 -55.94 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 7.2 mmt -48.26 -42.05 29.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -63.91 -65.94 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.5 -35.34 8.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.98 -37.73 88.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.432 ' HA ' ' CE1' ' A' ' 56' ' ' PHE . 1.3 t -118.33 37.71 3.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 36.5 m -153.92 105.03 2.47 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.546 0.689 . . . . 0.0 111.164 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--N 1.341 0.165 0 C-N-CA 122.717 2.278 . . . . 0.0 112.339 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.5 tp . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.872 0.367 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.438 ' CG2' HD23 ' A' ' 33' ' ' LEU . 46.8 t -127.55 -53.76 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.104 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -162.05 158.75 25.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -135.43 -139.03 3.96 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.09 174.72 24.42 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.456 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 47.0 m95 -109.71 144.04 38.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.804 0.335 . . . . 0.0 110.896 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.405 HD13 ' NE1' ' A' ' 105' ' ' TRP . 70.1 mt -143.65 139.69 29.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.537 ' CH2' ' HD2' ' A' ' 26' ' ' ARG . 94.4 m95 -77.86 124.07 27.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.404 ' NH2' ' HD3' ' A' ' 25' ' ' LYS . 30.2 ttp85 -118.72 140.32 50.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.911 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.818 0.342 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.479 ' CD1' ' HB3' ' A' ' 73' ' ' PRO . 70.8 m95 -52.77 151.54 4.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.404 ' HD3' ' NH2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -138.99 145.5 39.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.537 ' HD2' ' CH2' ' A' ' 15' ' ' TRP . 24.5 mtp85 -79.14 121.31 24.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -132.1 166.86 20.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.437 ' CH2' ' HB2' ' A' ' 30' ' ' ALA . 79.1 t90 -119.77 105.11 10.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.469 ' CD2' ' HB3' ' A' ' 39' ' ' TYR . 47.4 m-85 -90.78 146.55 23.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.437 ' HB2' ' CH2' ' A' ' 28' ' ' TRP . . . -146.47 129.77 16.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.054 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.3 tp -98.25 133.5 42.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -107.04 153.93 21.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.438 HD23 ' CG2' ' A' ' 9' ' ' VAL . 3.1 mt -59.75 -33.25 71.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -56.28 -15.65 4.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.46 39.16 6.03 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.468 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.6 p -127.54 149.87 49.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.802 0.334 . . . . 0.0 111.159 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.449 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 9.4 tp -118.21 113.17 21.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.04 139.03 14.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.471 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.469 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 11.8 p90 -121.56 115.38 22.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.881 0.372 . . . . 0.0 110.98 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.553 ' CD2' ' HA ' ' A' ' 45' ' ' ALA . 12.9 m-85 -101.48 164.84 11.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.498 ' CE1' ' OD1' ' A' ' 42' ' ' ASP . 0.5 OUTLIER -61.71 -54.68 39.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.498 ' OD1' ' CE1' ' A' ' 41' ' ' HIS . 97.0 m-20 -129.66 -179.26 5.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -47.87 -31.11 4.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.1 p -75.05 109.98 8.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.553 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . . . -81.34 47.83 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -104.25 -22.12 13.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 48' ' ' GLU . 1.1 m-20 -105.88 42.46 1.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 47' ' ' ASP . 9.6 tt0 -35.44 123.29 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -90.51 -43.95 9.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 4.2 m-20 -169.53 179.09 3.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.834 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -155.24 117.86 4.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 25.3 m -109.13 161.48 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 63.8 t -89.49 138.45 19.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.449 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 30.8 mm -107.57 -39.66 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -55.94 119.18 5.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 39.36 47.16 1.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -128.13 -31.51 2.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 71.9 t -69.18 100.4 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.8 ttt-85 -64.4 -48.61 74.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -154.71 169.7 23.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 106' ' ' LYS . 61.4 mt -145.54 125.72 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.2 mttm -111.55 135.26 52.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 62.3 t -137.83 131.04 42.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.149 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.3 -133.17 42.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.49 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.412 ' NE2' ' HG2' ' A' ' 66' ' ' GLU . 2.1 pp0? -39.82 -48.39 2.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.767 0.317 . . . . 0.0 110.938 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.412 ' HG2' ' NE2' ' A' ' 65' ' ' GLN . 4.0 mm-40 -37.73 -52.15 1.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 81.4 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.897 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.14 0 CA-C-O 121.554 0.564 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.479 ' HB3' ' CD1' ' A' ' 24' ' ' TRP . 53.7 Cg_endo -69.79 -168.61 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.634 2.223 . . . . 0.0 112.333 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -75.71 105.17 6.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 119.32 -53.61 0.67 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.533 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.477 ' N ' ' HD2' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -51.05 -176.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.817 0.341 . . . . 0.0 110.915 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.5 m -142.22 158.62 43.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.829 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 39.9 mtm180 -64.17 -14.01 52.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.11 20.5 4.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -128.3 -32.37 0.63 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 80' ' ' GLY . 4.4 mp -34.38 149.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.813 0.34 . . . . 0.0 110.966 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.0 tp -161.44 112.23 1.7 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.9 m -119.63 135.78 54.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 94.7 t -114.37 130.57 68.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -97.66 146.34 25.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 26.1 mt -119.02 154.3 33.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -77.59 -36.2 52.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.36 -23.54 3.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 112.12 56.13 0.46 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.5 m -171.85 156.22 4.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 0.0 110.826 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.515 ' HG3' ' CE1' ' A' ' 93' ' ' HIS . 10.6 ptm180 -122.15 172.43 8.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.5 mt -132.54 106.56 7.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.515 ' CE1' ' HG3' ' A' ' 91' ' ' ARG . 29.9 m80 -81.05 109.73 15.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 36.5 mt -130.13 170.24 14.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 40.3 t -149.56 138.33 21.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -107.65 160.3 15.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.084 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -71.3 -37.74 71.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 31.8 p -133.42 148.89 51.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -48.52 -40.09 25.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.56 -56.31 16.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -50.94 -44.06 60.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.96 -45.12 93.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.074 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 79.6 mt -61.31 -38.3 79.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.59 -40.99 76.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.104 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.405 ' NE1' HD13 ' A' ' 14' ' ' LEU . 49.1 m95 -68.73 -39.06 80.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.472 ' HD2' ' CG2' ' A' ' 61' ' ' ILE . 16.8 tptm -55.05 -40.3 70.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 94.2 m -83.27 -46.35 12.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.092 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.61 -26.76 67.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 42.9 mt -91.27 -50.77 5.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 5.5 mmt -57.23 -33.15 67.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -70.8 -66.52 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -48.18 -38.21 17.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -62.1 -30.82 71.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.3 m -123.71 43.24 3.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 81.5 m -161.05 105.06 1.25 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.573 0.701 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.164 0 C-N-CA 122.716 2.277 . . . . 0.0 112.343 179.952 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.0 tp . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.904 0.383 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.8 t -103.2 -57.53 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 47.5 ttt85 -140.8 155.13 46.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -149.45 82.47 0.18 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.454 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -123.52 159.99 18.1 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.41 ' CZ3' ' HB3' ' A' ' 26' ' ' ARG . 52.8 m95 -85.91 133.44 33.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.787 0.327 . . . . 0.0 110.939 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.411 HD11 ' NE1' ' A' ' 105' ' ' TRP . 21.5 mt -136.88 145.08 43.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.56 ' CZ3' ' HG3' ' A' ' 26' ' ' ARG . 99.0 m95 -82.09 124.02 29.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.5 ttp85 -110.9 153.17 25.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.954 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 mtp-105 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.789 0.328 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -76.39 161.43 28.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.403 ' C ' ' HD3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -157.72 159.69 37.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.56 ' HG3' ' CZ3' ' A' ' 15' ' ' TRP . 31.4 mtp180 -90.76 140.14 30.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.524 HD21 ' N ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -154.36 148.96 26.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.524 ' N ' HD21 ' A' ' 27' ' ' ASN . 28.3 t90 -97.84 106.04 18.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.941 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.457 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 38.3 m-85 -94.27 127.23 40.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.77 144.5 51.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.091 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 26.1 tp -109.49 136.62 48.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -107.46 146.15 32.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mt -60.12 -29.66 68.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.61 -16.01 3.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.42 40.88 4.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.473 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.3 p -135.21 153.5 51.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 111.134 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.455 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . 12.2 tp -123.78 111.05 15.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.05 139.53 12.4 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.402 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 16.9 p90 -117.76 138.33 52.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.935 0.398 . . . . 0.0 110.899 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.48 ' CE2' ' HB3' ' A' ' 45' ' ' ALA . 7.0 m-85 -131.0 148.27 52.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 40' ' ' TYR . 62.8 m-70 -34.45 -66.03 0.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -123.1 179.71 4.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.46 ' HA ' ' CE3' ' A' ' 28' ' ' TRP . 15.1 pt-20 -45.47 -28.58 0.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.2 p -78.67 115.14 18.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.48 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . . . -81.53 54.41 2.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.107 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -93.71 -36.45 12.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -106.7 76.59 1.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -59.93 111.84 1.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -80.73 -46.45 15.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -169.61 173.52 6.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.453 ' CZ ' ' HB3' ' A' ' 51' ' ' ARG . 17.2 ttp-105 -153.75 117.57 4.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.455 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 34.1 m -107.5 170.39 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 44.4 t -95.5 141.02 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.448 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 5.5 mm -110.32 -39.65 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.443 ' CD2' ' C ' ' A' ' 55' ' ' HIS . 3.1 t60 -55.76 119.97 6.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.441 ' HB2' ' CD2' ' A' ' 55' ' ' HIS . 15.4 m-85 35.88 45.32 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -125.61 -12.64 6.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.7 t -85.65 96.83 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -64.85 -44.63 89.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -163.46 166.24 22.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.8 mt -144.56 120.6 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -106.79 143.21 35.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 46.1 t -141.48 133.27 28.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.71 -138.6 37.97 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.521 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -38.71 -39.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.776 0.322 . . . . 0.0 110.95 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -40.4 -53.93 2.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.908 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 121.554 0.564 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -178.31 2.26 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.42 ' C ' ' CD ' ' A' ' 74' ' ' GLU . 6.2 tm-20 -74.75 131.14 40.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 76' ' ' ARG . . . 98.38 -61.37 0.89 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.522 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.479 ' N ' ' HD2' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -51.36 -175.13 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 -179.873 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.9 m -133.02 157.0 46.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.5 mtt85 -59.48 -51.33 70.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -55.3 -13.98 1.61 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -78.29 -25.84 60.7 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.483 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.7 mp -49.23 125.87 11.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.922 0.391 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.0 tp -133.92 116.97 16.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 87.0 m -121.47 139.62 53.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.463 HG11 ' N ' ' A' ' 85' ' ' ASN . 38.4 t -117.39 150.38 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.149 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.463 ' N ' HG11 ' A' ' 84' ' ' VAL . 3.9 m-80 -115.98 120.75 40.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 61.0 mt -103.57 139.71 38.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.951 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.432 ' NE ' ' O ' ' A' ' 56' ' ' PHE . 54.0 mtm180 -59.16 -48.93 79.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 87' ' ' ARG . 19.1 pt-20 -36.7 -34.16 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 87' ' ' ARG . . . 114.37 51.72 0.46 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.442 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.2 t -166.08 116.69 1.01 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.9 0.381 . . . . 0.0 110.831 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.56 ' HG3' ' CE1' ' A' ' 93' ' ' HIS . 0.6 OUTLIER -86.52 158.35 19.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.915 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.6 mt -113.21 122.13 46.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.56 ' CE1' ' HG3' ' A' ' 91' ' ' ARG . 70.7 m80 -97.32 112.11 24.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.457 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 18.1 mt -134.69 165.82 24.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.4 t -140.18 119.4 12.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -89.68 164.03 14.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.034 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.406 ' C ' HG23 ' A' ' 98' ' ' THR . 13.8 pt-20 -70.77 -37.12 73.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.406 HG23 ' C ' ' A' ' 97' ' ' GLU . 21.2 p -148.19 165.77 29.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -59.08 -34.87 72.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -57.21 -53.71 55.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -61.76 -42.82 99.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.6 -55.12 37.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 22.0 mt -53.29 -43.75 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -49.09 -41.83 36.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.048 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.411 ' NE1' HD11 ' A' ' 14' ' ' LEU . 43.6 m95 -69.3 -43.49 73.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.938 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -57.0 -39.46 74.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 91.6 m -73.21 -46.95 47.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.87 -29.0 70.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 46.0 mt -86.12 -55.07 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 10.9 mmt -51.53 -20.97 2.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -83.44 -64.99 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.59 -29.11 2.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.059 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.433 ' ND2' ' HG ' ' A' ' 114' ' ' SER . 1.0 OUTLIER -69.39 -39.79 77.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.913 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.433 ' HG ' ' ND2' ' A' ' 113' ' ' ASN . 14.1 m -115.14 41.11 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 26.1 m -156.62 105.0 1.98 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.587 0.708 . . . . 0.0 111.161 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.247 . . . . 0.0 112.324 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 tt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.826 0.346 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.7 t -96.44 -53.54 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -170.38 155.39 5.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -141.8 -175.3 15.14 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.46 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 149.18 148.31 4.72 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -69.43 130.97 43.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.829 0.347 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.468 HD12 ' NE1' ' A' ' 105' ' ' TRP . 88.9 mt -134.59 142.34 46.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.418 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 95.5 m95 -79.71 115.14 19.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.6 ttt-85 -108.17 131.78 54.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.53 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 33.3 tt0 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.796 0.331 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.53 ' CZ3' ' HB2' ' A' ' 17' ' ' GLN . 95.5 m95 -79.33 153.91 29.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -148.57 141.96 25.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.418 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 44.6 mtm180 -75.58 120.61 21.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -145.82 129.01 16.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.46 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 14.9 t-105 -79.62 129.99 34.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 39' ' ' TYR . 26.0 m-85 -110.59 145.57 37.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.29 127.05 14.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.7 tp -91.63 139.15 30.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -111.07 139.62 46.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.402 ' N ' HD21 ' A' ' 33' ' ' LEU . 2.4 mt -56.28 -23.74 38.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.925 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -58.19 -19.25 31.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.814 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.3 33.57 5.64 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.502 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.2 p -129.77 170.98 13.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 111.163 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.458 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 12.3 tp -134.29 112.36 10.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.28 135.33 11.24 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.528 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.567 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 35.9 p90 -119.24 127.61 53.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.881 0.372 . . . . 0.0 110.927 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.547 ' CD2' ' HA ' ' A' ' 45' ' ' ALA . 1.9 m-85 -109.89 154.9 22.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.943 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -66.35 -53.53 35.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.402 ' CG ' ' OD2' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -77.88 175.2 10.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -65.86 -34.45 78.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.6 p -94.19 174.6 7.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.547 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . . . -94.23 81.15 4.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.105 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -125.13 -49.71 1.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.402 ' OD2' ' CG ' ' A' ' 42' ' ' ASP . 3.9 p30 -91.75 75.56 5.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -56.16 116.06 2.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -94.31 -48.62 6.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 2.5 t70 -171.33 172.11 5.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.402 ' HB2' ' NH1' ' A' ' 51' ' ' ARG . 17.0 ttm105 -152.39 122.09 6.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 31.9 m -110.07 144.44 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 54' ' ' ILE . 47.0 t -66.54 145.14 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.458 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 28.7 mm -115.94 -39.22 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 56' ' ' PHE . 18.1 t60 -53.72 121.46 7.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 55' ' ' HIS . 4.8 m-85 35.4 43.06 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -121.76 -22.51 5.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.2 t -82.96 99.79 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.139 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.1 tpt85 -66.24 -50.18 64.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -149.58 171.76 16.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.474 ' CG2' ' HD2' ' A' ' 106' ' ' LYS . 97.6 mt -149.34 116.19 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -103.95 144.3 31.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.431 HG22 ' CD1' ' A' ' 82' ' ' LEU . 44.5 t -141.48 129.94 22.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.155 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.21 -132.03 35.97 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.44 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 66' ' ' GLU . 35.9 mm-40 -40.69 -45.7 2.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.752 0.311 . . . . 0.0 110.903 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 65' ' ' GLN . 16.1 mt-10 -38.37 -46.89 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 85.4 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 -179.882 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.426 ' HB3' ' CD1' ' A' ' 81' ' ' LEU . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.196 0 CA-C-O 121.615 0.589 . . . . 0.0 112.343 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.456 ' HG2' ' CG ' ' A' ' 76' ' ' ARG . 53.7 Cg_endo -69.74 145.92 58.71 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.706 2.271 . . . . 0.0 112.333 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -55.07 135.72 48.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.86 -60.11 1.72 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.456 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 5.8 mmp_? -52.35 -172.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.807 0.337 . . . . 0.0 110.891 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.9 m -119.92 159.57 24.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -61.04 -51.05 70.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -45.33 -47.38 13.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -39.2 -36.47 0.57 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.445 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.459 HD11 ' N ' ' A' ' 81' ' ' LEU . 6.8 mp -38.19 138.42 0.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.838 0.352 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.431 ' CD1' HG22 ' A' ' 63' ' ' VAL . 6.8 tp -154.05 111.84 3.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.429 ' CG2' ' HB2' ' A' ' 91' ' ' ARG . 4.9 m -110.81 114.13 27.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 64.6 t -99.52 128.45 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -93.25 140.21 29.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 69.7 mt -116.5 150.07 38.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -58.82 -46.49 87.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.449 ' C ' ' OE1' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -45.9 -36.68 5.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 115.4 69.42 0.46 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.444 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 27.0 t -171.11 145.93 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.879 0.371 . . . . 0.0 110.866 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.429 ' HB2' ' CG2' ' A' ' 83' ' ' THR . 17.3 ptp180 -107.72 136.52 47.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.1 mt -95.51 107.78 19.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -79.18 104.55 9.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.535 HD23 ' CZ ' ' A' ' 29' ' ' PHE . 82.6 mt -132.36 160.17 37.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.889 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.47 ' SG ' ' CH2' ' A' ' 24' ' ' TRP . 36.2 m -141.92 126.96 18.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.7 159.92 14.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -52.49 -59.49 4.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 58.9 p -128.8 174.06 9.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -59.62 -44.12 93.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -52.17 -48.61 64.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -63.22 -46.96 84.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.3 -44.68 88.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 56.3 mt -60.72 -39.18 80.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.73 -41.53 70.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.468 ' NE1' HD12 ' A' ' 14' ' ' LEU . 60.3 m95 -66.88 -42.03 86.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.474 ' HD2' ' CG2' ' A' ' 61' ' ' ILE . 17.7 tptm -50.36 -45.0 54.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.853 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 88.0 m -79.39 -44.09 22.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.178 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.79 -26.36 67.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 40.4 mt -91.29 -51.01 5.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 3.4 mmt -53.46 -38.72 63.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -68.33 -59.96 2.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.5 -34.9 26.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.41 ' O ' ' CD1' ' A' ' 56' ' ' PHE . 1.6 t30 -70.02 -33.84 72.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 80.0 p -124.07 41.14 3.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 87.1 m -157.52 105.01 1.82 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.618 0.723 . . . . 0.0 111.14 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.716 2.278 . . . . 0.0 112.332 179.951 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.441 HD21 ' N ' ' A' ' 9' ' ' VAL . 3.2 tt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.839 0.352 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.441 ' N ' HD21 ' A' ' 8' ' ' LEU . 90.5 t -94.7 -60.25 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 11' ' ' GLY . 4.5 tpm_? -141.82 150.85 42.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.419 ' N ' ' HG3' ' A' ' 10' ' ' ARG . . . -154.3 134.97 4.51 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.458 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . -176.99 163.02 31.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.458 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -75.81 143.25 41.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.855 0.359 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 81.3 mt -153.81 137.03 15.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.536 ' CH2' ' HD2' ' A' ' 26' ' ' ARG . 98.7 m95 -74.74 130.94 40.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.1 ttp85 -114.62 139.52 49.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.893 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.825 0.345 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.539 ' CD1' ' HB3' ' A' ' 73' ' ' PRO . 98.3 m95 -72.74 138.18 46.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.26 135.71 47.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.536 ' HD2' ' CH2' ' A' ' 15' ' ' TRP . 20.1 mtt180 -72.18 131.23 42.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -148.93 145.96 27.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.458 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 14.8 t-105 -98.77 108.18 20.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.502 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 8.3 m-85 -93.39 145.62 24.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.86 133.34 24.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.2 tp -99.71 133.88 43.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 69.2 m95 -106.42 150.11 26.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.441 ' CD2' HG21 ' A' ' 9' ' ' VAL . 3.1 mt -56.64 -33.66 66.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 36' ' ' THR . 20.1 p30 -53.54 -20.46 5.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.439 ' N ' ' OD1' ' A' ' 34' ' ' ASP . . . 97.21 32.0 6.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.434 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.455 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 72.7 p -121.54 160.72 23.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 111.115 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.467 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . 11.6 tp -124.96 107.3 10.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.91 134.32 10.45 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.426 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 50' ' ' ASP . 18.9 p90 -119.18 131.89 55.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.906 0.384 . . . . 0.0 110.908 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 4.0 m-85 -115.61 162.83 16.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.923 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.418 ' CD2' ' HB2' ' A' ' 47' ' ' ASP . 15.5 m170 -43.86 -47.49 8.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.2 OUTLIER -144.78 167.46 22.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.824 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 42' ' ' ASP . 35.1 tt0 -35.3 -42.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 82.7 p -68.21 88.79 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.134 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.58 88.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -127.73 -50.0 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.418 ' HB2' ' CD2' ' A' ' 41' ' ' HIS . 9.4 m-20 -90.47 79.01 6.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -53.01 106.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -85.15 -50.73 7.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 9.3 m-20 -170.68 170.57 6.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.3 ttm105 -154.82 123.59 6.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.467 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 27.2 m -109.2 172.02 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.3 t -96.91 136.63 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.458 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 21.6 mm -108.34 -41.82 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 56' ' ' PHE . 11.6 t60 -49.91 118.83 3.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 55' ' ' HIS . 15.4 m-85 37.67 42.2 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -122.66 -15.22 7.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 71.6 t -82.44 94.29 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.151 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -64.63 -46.51 82.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -158.98 161.88 36.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.5 mt -141.33 121.83 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.142 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -105.33 130.42 53.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 88.2 t -132.72 136.27 56.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.077 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.03 -131.07 48.28 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.486 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 66' ' ' GLU . 11.9 tt0 -40.58 -48.03 2.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.778 0.323 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 65' ' ' GLN . 15.9 mt-10 -34.46 -39.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 66' ' ' GLU . 19.8 p . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.149 0 CA-C-O 121.568 0.57 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.539 ' HB3' ' CD1' ' A' ' 24' ' ' TRP . 54.6 Cg_endo -69.72 -168.73 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.624 2.216 . . . . 0.0 112.378 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -79.64 109.4 14.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 117.59 -48.66 0.92 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -65.16 169.08 5.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.338 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 t -114.0 152.71 30.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 58.1 mtm180 -60.89 -9.53 4.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -84.58 -14.96 47.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -87.36 -17.07 59.47 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 mp -46.21 143.01 2.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.363 . . . . 0.0 110.889 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.9 tp -156.44 118.1 3.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 12.0 m -120.06 135.52 54.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 95.7 t -118.57 129.68 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.174 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -96.93 137.22 36.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.3 mt -113.78 136.87 52.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -48.4 -37.97 18.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -45.87 -38.27 7.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 120.55 33.51 1.01 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.529 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.8 p -143.0 154.49 44.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -112.75 156.44 22.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.3 mt -114.81 106.87 14.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 61.6 m80 -78.42 103.36 8.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.502 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 44.5 mt -126.83 163.67 23.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 30.9 t -149.21 130.63 14.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.3 177.97 5.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -79.54 -44.96 20.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 41.3 p -133.42 168.53 18.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.181 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.4 ptt180 -64.4 -10.76 26.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -85.01 -55.21 4.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.16 -36.72 66.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.29 -62.45 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 58.2 mt -45.76 -44.37 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -46.87 -54.46 9.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 31.2 m95 -59.74 -44.47 93.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -53.49 -41.83 66.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 94.2 m -73.18 -43.51 61.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.59 -25.7 68.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.442 ' CD2' HD13 ' A' ' 54' ' ' ILE . 40.1 mt -88.69 -50.17 6.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 18.4 mmt -57.06 -36.25 70.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -67.98 -65.82 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.948 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -51.4 -41.69 60.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.096 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -54.47 -43.13 71.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.8 t -113.57 40.61 2.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 92.6 m -157.23 105.01 1.87 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.558 0.694 . . . . 0.0 111.16 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.649 2.233 . . . . 0.0 112.338 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.1 tp . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.855 0.359 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.423 ' CG2' ' CD2' ' A' ' 33' ' ' LEU . 41.4 t -95.74 -60.88 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.2 ttt85 -152.46 162.29 41.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -155.45 140.91 7.66 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.517 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.44 129.79 1.46 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.457 ' CH2' ' HA ' ' A' ' 42' ' ' ASP . 48.9 m95 -50.72 136.08 22.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.841 0.353 . . . . 0.0 110.907 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.2 mt -148.95 145.51 27.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.941 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.56 ' CH2' ' HD2' ' A' ' 26' ' ' ARG . 64.4 m95 -73.65 133.21 43.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.5 ttt-85 -120.46 133.79 55.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.511 ' HB2' ' CD2' ' A' ' 24' ' ' TRP . 12.4 tt0 . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.832 0.349 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.572 ' CZ3' ' HB2' ' A' ' 95' ' ' CYS . 78.5 m95 -82.48 149.41 27.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -149.6 138.12 20.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.56 ' HD2' ' CH2' ' A' ' 15' ' ' TRP . 31.3 mtp180 -68.73 128.31 36.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -150.35 148.88 29.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 -85.66 131.1 34.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.527 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 44.4 m-85 -122.78 135.0 54.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.87 139.39 32.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.069 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.7 tp -100.81 152.04 20.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 84.6 m95 -120.05 156.91 30.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.481 HD22 ' N ' ' A' ' 33' ' ' LEU . 3.1 mt -76.33 -17.5 59.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -83.01 19.74 1.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.35 59.29 10.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.486 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.9 p -150.52 138.52 20.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.825 0.345 . . . . 0.0 111.12 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.467 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 19.0 tp -117.9 110.8 18.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.36 141.23 13.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.491 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 50' ' ' ASP . 15.1 p90 -120.75 155.39 34.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.886 0.374 . . . . 0.0 110.96 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 45' ' ' ALA . 2.3 m-85 -134.73 163.69 29.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.545 ' CE1' ' OD2' ' A' ' 42' ' ' ASP . 2.0 p80 -53.14 -50.04 65.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.844 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.545 ' OD2' ' CE1' ' A' ' 41' ' ' HIS . 19.7 p30 -124.81 179.35 5.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -57.89 -38.72 76.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 46' ' ' GLN . 43.8 p -72.49 88.52 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.186 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 40' ' ' TYR . . . -46.31 91.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.072 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' THR . 36.5 mm-40 -129.73 -46.39 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.963 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.516 ' HB3' ' CD2' ' A' ' 41' ' ' HIS . 9.9 t0 -94.33 80.51 3.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -50.77 92.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -67.73 -48.11 67.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 5.8 t0 -171.22 174.96 4.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -155.91 125.75 6.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 32.7 m -118.09 171.3 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.12 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.5 t -98.1 135.91 30.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.076 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 37' ' ' LEU . 36.5 mm -103.77 -40.3 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -60.7 122.47 14.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 42.7 47.51 4.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -130.66 -35.01 1.5 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.441 HG12 ' CE ' ' A' ' 110' ' ' MET . 94.8 t -63.31 106.45 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.2 tpt85 -75.97 -44.08 41.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.99 143.41 5.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 69.0 mt -120.44 122.2 67.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.086 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -103.93 124.82 49.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.1 t -132.3 129.0 59.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . 59.37 -127.45 44.89 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.476 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 64' ' ' GLY . 58.9 tt0 -35.14 -51.87 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.757 0.313 . . . . 0.0 110.913 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 67' ' ' CYS . 3.6 mm-40 -37.75 -50.55 1.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 66' ' ' GLU . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 121.631 0.596 . . . . 0.0 112.329 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -164.76 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.646 2.231 . . . . 0.0 112.353 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -70.15 127.58 33.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.9 -59.33 3.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.532 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.461 ' NE ' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -46.16 172.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.842 -179.863 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.2 p -131.6 162.67 29.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.9 mtm180 -66.5 -4.21 7.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.51 -21.36 21.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 96' ' ' ALA . . . -99.41 24.59 31.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.3 mp -91.93 119.73 31.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.86 0.362 . . . . 0.0 110.938 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.7 tp -129.53 110.87 12.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.0 m -117.63 135.08 54.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.8 t -118.91 132.71 68.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.086 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -97.41 137.9 35.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.0 mt -110.59 143.38 41.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -74.03 -41.72 61.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -41.1 -42.81 2.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 136.89 51.26 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.476 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.7 m -170.96 170.98 6.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 110.927 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -129.75 171.36 12.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.1 mt -131.99 104.51 6.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -86.67 118.51 26.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.527 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 67.5 mt -136.82 159.41 41.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.572 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 37.2 t -147.09 114.36 6.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 80' ' ' GLY . . . -84.39 178.95 7.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -78.09 -42.57 31.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 78.6 p -134.09 164.37 27.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.414 ' HB2' ' NH1' ' A' ' 99' ' ' ARG . 3.9 ptm85 -58.14 -44.76 88.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -48.0 -62.79 1.29 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.97 -45.77 51.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.24 -52.97 61.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.063 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 63.7 mt -55.12 -43.46 70.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.02 -52.12 36.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.063 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -54.44 -46.3 73.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.8 tttm -50.8 -40.47 55.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 33.9 m -70.52 -49.89 43.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.65 -28.85 70.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.076 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 13.1 mt -82.58 -52.46 6.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.441 ' CE ' HG12 ' A' ' 58' ' ' VAL . 12.1 mmt -55.5 -44.12 76.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -64.1 -62.42 1.64 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.81 -32.22 5.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.099 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.06 -37.12 83.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 57.8 m -127.13 62.13 1.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 99.5 m -162.98 105.22 1.02 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.592 0.711 . . . . 0.0 111.183 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.212 0 C-N-CA 122.651 2.234 . . . . 0.0 112.322 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.449 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 5.9 tp . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.862 0.363 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.1 t -84.03 -62.56 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.4 ttt85 -148.27 161.09 42.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -142.06 -179.77 19.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.454 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.37 -162.06 28.19 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -123.69 132.39 53.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.8 0.333 . . . . 0.0 110.973 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.0 mt -132.67 139.77 47.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.519 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 95.8 m95 -81.29 119.7 23.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.984 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.457 ' O ' ' CD ' ' A' ' 25' ' ' LYS . 29.9 ttp85 -109.72 129.44 55.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.46 ' NE2' ' NE1' ' A' ' 24' ' ' TRP . 13.3 tt0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.5 ttt180 . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.829 0.347 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.46 ' NE1' ' NE2' ' A' ' 17' ' ' GLN . 89.3 m95 -79.83 129.4 34.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.457 ' CD ' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -128.55 147.1 50.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.519 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 55.6 mtm180 -68.5 139.11 55.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -150.31 128.11 11.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 23.6 t-105 -86.01 99.21 11.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.7 ' CE2' ' CD2' ' A' ' 39' ' ' TYR . 47.6 m-85 -90.49 141.38 28.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.852 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.11 133.73 23.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.104 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.4 tp -100.05 137.37 38.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.449 ' CZ3' HD11 ' A' ' 8' ' ' LEU . 73.5 m95 -105.97 151.21 24.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.7 mt -61.25 -19.99 62.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.97 -11.74 61.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.37 42.52 5.5 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.46 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.3 p -133.04 151.9 52.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.839 0.352 . . . . 0.0 111.115 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.467 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 11.4 tp -122.95 107.31 11.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.8 136.59 10.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.51 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.7 ' CD2' ' CE2' ' A' ' 29' ' ' PHE . 13.8 p90 -117.89 131.12 56.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.948 0.404 . . . . 0.0 110.903 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.435 ' N ' ' CD1' ' A' ' 40' ' ' TYR . 3.3 m-85 -113.13 173.46 6.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.894 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.499 ' CG ' ' N ' ' A' ' 42' ' ' ASP . 7.9 p80 -60.36 -51.01 71.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.845 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.499 ' N ' ' CG ' ' A' ' 41' ' ' HIS . 4.7 t70 -147.85 -177.55 5.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.821 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 42' ' ' ASP . 17.1 pt-20 -37.62 -39.49 0.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.9 p -73.25 108.3 6.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.164 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.415 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . . . -85.37 51.72 2.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -101.19 -6.09 24.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -129.83 68.68 1.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -52.87 115.11 1.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -82.84 -43.9 16.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 17.2 m-20 -169.01 174.48 6.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -156.03 127.09 7.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.3 m -123.14 136.66 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.4 t -65.28 143.98 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.467 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 18.4 mm -113.41 -38.51 2.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.168 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -59.85 120.29 9.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 41.55 40.03 1.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -123.24 -25.65 4.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.4 t -77.62 101.52 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.439 ' NH1' ' CZ ' ' A' ' 87' ' ' ARG . 5.5 tpt180 -66.33 -49.29 67.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -158.06 167.97 28.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 75.2 mt -143.07 124.15 11.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -108.94 147.67 31.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 40.0 t -142.65 143.83 25.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.17 -132.7 52.69 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.521 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 66' ' ' GLU . 1.7 mp0 -42.05 -53.21 4.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.733 0.302 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 67' ' ' CYS . 13.0 mt-10 -34.77 -36.96 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 66' ' ' GLU . 17.9 p . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 121.575 0.573 . . . . 0.0 112.319 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 163.05 39.75 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -64.12 141.9 58.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.35 -60.68 2.94 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.508 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -62.69 176.86 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.838 0.351 . . . . 0.0 110.832 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.5 m -118.53 173.31 6.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.6 mtt85 -69.11 -41.83 76.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.77 -12.23 4.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -81.44 -27.9 46.08 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.6 mp -51.51 137.87 23.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.817 0.341 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.4 tp -149.26 111.15 4.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.8 m -108.1 128.69 54.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 48.8 t -110.23 134.8 51.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -101.82 136.39 41.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 25.2 mt -113.55 153.64 28.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.439 ' CZ ' ' NH1' ' A' ' 59' ' ' ARG . 17.0 mtp85 -69.6 -40.14 76.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -51.57 -22.72 3.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.64 62.93 0.79 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.4 t -169.79 119.57 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 110.859 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -83.23 156.55 23.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.8 mt -117.46 111.4 19.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -84.51 112.19 20.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.425 HD23 ' CZ ' ' A' ' 29' ' ' PHE . 17.7 mt -136.18 172.29 13.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 38.2 t -155.44 128.48 8.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.61 162.88 13.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.06 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -69.31 -37.13 77.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.2 p -141.21 154.25 45.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.194 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.33 -25.68 2.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.31 -63.2 1.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -48.93 -38.32 22.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.81 -57.16 13.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 73.5 mt -55.76 -39.77 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.147 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.16 -52.67 41.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -63.52 -39.62 94.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.6 ttmt -57.88 -42.87 85.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 93.1 m -75.37 -43.68 49.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.18 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.18 -29.32 70.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 58.2 mt -86.63 -49.0 7.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 8.5 mmt -54.84 -32.17 60.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.66 -62.88 1.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.87 -35.83 11.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.7 -37.88 89.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 35.1 p -116.84 40.96 2.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 94.0 m -158.06 104.99 1.73 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.566 0.698 . . . . 0.0 111.16 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.155 0 C-N-CA 122.644 2.229 . . . . 0.0 112.354 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.0 tp . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.836 0.35 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.0 t -94.61 -62.19 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.554 ' HB3' ' CH2' ' A' ' 105' ' ' TRP . 4.4 tpm_? -123.59 153.66 40.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -155.04 105.02 0.26 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -162.77 156.81 28.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 49.9 m95 -79.42 134.57 36.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.847 0.356 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.562 HD12 ' CD1' ' A' ' 105' ' ' TRP . 84.8 mt -136.9 142.2 42.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.565 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 87.5 m95 -74.87 119.75 19.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.3 ttt-85 -109.0 140.82 42.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.907 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.783 0.325 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.531 ' CD1' ' HB3' ' A' ' 73' ' ' PRO . 97.0 m95 -76.07 131.74 39.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.945 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.8 ptpt -139.21 141.12 37.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.565 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 15.7 mtp180 -65.77 132.27 48.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -143.15 155.92 44.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -107.37 104.4 13.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.515 ' CE2' ' HB3' ' A' ' 39' ' ' TYR . 37.1 m-85 -100.2 139.97 35.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.65 130.85 16.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.3 tp -95.43 143.02 27.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 72.1 m95 -113.48 150.98 32.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mt -58.0 -34.48 70.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.53 -23.08 3.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.48 35.71 4.58 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.458 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.5 p -129.17 157.36 42.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.839 0.352 . . . . 0.0 111.141 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.461 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 12.4 tp -123.75 117.23 24.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.45 138.73 13.1 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.515 ' HB3' ' CE2' ' A' ' 29' ' ' PHE . 46.6 p90 -123.68 121.34 35.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.894 0.378 . . . . 0.0 110.91 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.479 ' CD2' ' HA ' ' A' ' 48' ' ' GLU . 3.9 m-85 -105.53 173.7 6.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.877 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -80.9 -43.98 19.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.06 -179.75 3.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 44' ' ' THR . 16.5 tt0 -68.85 -42.04 77.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 43' ' ' GLU . 20.2 p -35.27 -41.19 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.452 ' HA ' ' CG ' ' A' ' 40' ' ' TYR . . . 65.06 38.61 6.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -110.74 -8.3 14.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 48' ' ' GLU . 3.4 t70 -109.65 44.6 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.479 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . 21.6 tt0 -36.95 109.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -75.01 -43.46 53.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -164.56 173.45 12.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -144.53 121.91 11.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.457 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 35.7 m -116.01 128.36 73.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.9 t -59.26 143.81 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.461 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 17.4 mm -113.02 -39.74 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.138 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 56' ' ' PHE . 11.4 t-160 -56.55 121.58 10.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.437 ' O ' ' NH2' ' A' ' 87' ' ' ARG . 7.0 m-85 35.81 38.53 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -118.08 -27.3 6.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.2 t -78.11 114.13 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.2 tpt85 -73.72 -50.15 22.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -152.77 174.85 13.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 70.5 mt -152.95 116.09 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -101.66 126.26 48.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 53.1 t -127.61 130.9 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . 56.19 -130.7 49.78 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 64' ' ' GLY . 0.4 OUTLIER -34.39 -50.78 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.729 0.3 . . . . 0.0 110.901 -179.895 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -41.17 -48.47 3.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.93 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.465 -0.148 0 CA-C-O 121.58 0.575 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.531 ' HB3' ' CD1' ' A' ' 24' ' ' TRP . 53.9 Cg_endo -69.75 142.89 49.22 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.614 2.209 . . . . 0.0 112.4 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -54.9 108.67 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 131.68 -56.1 0.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.421 ' N ' ' HD2' ' A' ' 76' ' ' ARG . 8.6 mpt_? -75.02 175.49 8.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.807 0.337 . . . . 0.0 110.873 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 t -102.13 178.57 4.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -83.55 -6.92 59.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -78.98 -6.18 55.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.13 -26.23 22.13 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.461 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.2 mp -42.72 130.67 4.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.858 0.361 . . . . 0.0 110.925 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.1 tp -151.82 110.34 3.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.4 m -116.37 128.74 55.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 81.5 t -110.46 130.79 63.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -98.93 145.1 27.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 45.7 mt -114.22 152.31 31.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.437 ' NH2' ' O ' ' A' ' 56' ' ' PHE . 5.4 ptp180 -76.37 -20.43 57.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -70.31 -44.55 68.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 132.52 57.54 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.495 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.1 t -165.83 132.59 2.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.862 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -101.34 146.02 28.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.4 mt -111.89 104.83 13.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -81.84 113.82 20.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.867 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.467 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 88.4 mt -131.78 176.41 8.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.461 ' N ' ' O ' ' A' ' 15' ' ' TRP . 36.5 t -161.89 139.36 8.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -107.8 179.93 4.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -88.43 -44.15 10.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.7 p -120.99 173.99 6.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.163 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 21.5 ptt-85 -72.72 -43.06 63.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -52.89 -57.4 10.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -50.5 -49.68 54.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.91 -48.97 74.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.096 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 72.7 mt -61.45 -45.23 99.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -49.52 -51.12 38.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.562 ' CD1' HD12 ' A' ' 14' ' ' LEU . 39.0 m95 -59.44 -44.51 92.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 58.2 tttt -57.14 -39.91 76.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 97.0 m -73.17 -41.64 63.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.84 -26.3 66.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 36.4 mt -86.06 -54.6 4.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 13.2 mmt -51.13 -40.57 58.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.869 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -60.61 -68.56 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.61 -43.98 46.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.092 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.55 -34.19 72.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -120.93 47.77 1.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.811 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 99.0 m -160.51 107.82 1.34 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.605 0.717 . . . . 0.0 111.16 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.366 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tt . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.824 0.345 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.3 t -86.49 -60.86 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.149 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -163.28 165.05 24.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.544 ' HA3' ' CZ2' ' A' ' 28' ' ' TRP . . . -125.36 -159.88 10.49 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 127.66 123.74 2.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 62.4 m95 -65.41 147.72 52.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.816 0.341 . . . . 0.0 110.939 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.404 HD12 ' CD1' ' A' ' 105' ' ' TRP . 39.2 mt -147.6 137.24 22.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.463 ' CH2' ' HD2' ' A' ' 26' ' ' ARG . 93.0 m95 -78.38 119.99 22.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.971 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.7 ttp85 -108.13 137.31 46.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.565 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 26.8 tt0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.796 0.331 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.565 ' CZ3' ' HB2' ' A' ' 17' ' ' GLN . 99.2 m95 -82.9 132.77 35.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.36 144.09 50.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.463 ' HD2' ' CH2' ' A' ' 15' ' ' TRP . 27.5 mtt180 -79.29 133.39 36.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -148.62 142.98 26.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.544 ' CZ2' ' HA3' ' A' ' 11' ' ' GLY . 20.8 t-105 -95.58 98.2 10.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -83.62 115.23 22.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.51 126.84 55.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 51.9 tp -93.61 136.12 34.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -107.07 146.07 31.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.92 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.443 HD22 ' N ' ' A' ' 33' ' ' LEU . 3.0 mt -57.59 -27.56 62.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -59.11 -16.41 19.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.46 42.06 4.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.478 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.1 p -135.45 161.13 36.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 0.0 111.14 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.456 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 10.5 tp -127.76 111.22 13.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.53 131.77 7.74 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -113.55 126.83 55.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.888 0.375 . . . . 0.0 110.902 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.496 ' CE2' ' HB3' ' A' ' 45' ' ' ALA . 4.9 m-85 -116.25 171.95 7.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -52.77 -62.68 1.49 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.64 -179.61 4.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -45.2 -42.82 9.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.4 p -74.61 106.7 6.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.496 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . . . -65.05 91.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -113.01 -48.94 2.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -106.38 94.19 5.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.83 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -66.11 101.23 0.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -70.63 -46.01 64.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -172.7 172.33 4.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -152.65 122.02 6.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.434 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 26.8 m -113.95 140.11 36.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.8 t -69.5 135.31 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.467 HD12 ' CD2' ' A' ' 109' ' ' LEU . 13.3 mm -105.3 -43.18 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 56' ' ' PHE . 14.1 t-160 -50.35 121.83 6.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 55' ' ' HIS . 42.4 m-85 36.03 45.9 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -123.39 -24.28 4.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.5 t -80.01 104.06 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.2 tpp85 -72.38 -39.01 68.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.437 ' OD2' ' CG ' ' A' ' 85' ' ' ASN . 2.6 p-10 -162.82 163.46 26.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.803 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 59.2 mt -147.99 122.96 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.405 ' HB3' ' CB ' ' A' ' 66' ' ' GLU . 19.1 mttm -111.22 150.92 28.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.4 HG23 ' C ' ' A' ' 62' ' ' LYS . 95.6 t -141.45 133.75 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.132 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.49 -140.57 35.49 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -41.91 -36.63 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.756 0.313 . . . . 0.0 110.917 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.405 ' CB ' ' HB3' ' A' ' 62' ' ' LYS . 37.5 mt-10 -52.01 -43.45 63.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 83.2 m . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.91 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.23 0.124 0 CA-C-O 121.595 0.581 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 151.56 68.91 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 2.263 . . . . 0.0 112.305 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -38.45 145.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.95 -57.08 4.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.46 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.469 ' HD3' ' N ' ' A' ' 76' ' ' ARG . 0.7 OUTLIER -59.23 167.92 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 -179.85 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 46.3 m -125.33 168.47 13.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.836 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -62.96 -35.57 80.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.806 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.51 -9.94 10.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -87.93 -26.46 29.07 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.544 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.8 mp -48.93 142.15 6.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.847 0.356 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.8 tp -151.94 111.04 3.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 68.7 m -111.38 133.96 53.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 85' ' ' ASN . 58.7 t -119.38 139.81 45.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.47 ' N ' HG13 ' A' ' 84' ' ' VAL . 1.5 m-80 -103.14 133.31 48.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 42.0 mt -110.93 142.72 42.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 17.6 mtp85 -51.83 -36.86 49.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -53.19 -30.26 36.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 128.12 -46.31 1.09 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 74.1 m -69.47 154.05 42.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.361 . . . . 0.0 110.879 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.462 ' HG2' ' ND2' ' A' ' 85' ' ' ASN . 62.4 mtt180 -118.02 143.55 46.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.9 mt -87.28 118.49 26.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -99.53 110.31 22.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 22.0 mt -132.68 174.09 10.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 15' ' ' TRP . 42.1 t -154.2 125.97 7.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.2 174.18 7.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -80.58 -33.64 35.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 81.4 p -131.33 -175.85 3.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -89.21 -14.83 35.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.808 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -80.22 -47.7 14.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.88 -38.45 82.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.73 -55.49 34.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 60.8 mt -53.43 -46.01 58.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.156 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -49.05 -51.18 32.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.107 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.404 ' CD1' HD12 ' A' ' 14' ' ' LEU . 35.9 m95 -60.92 -41.76 96.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -56.19 -42.88 77.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 87.1 m -71.49 -43.09 67.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.07 -29.82 71.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.076 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.467 ' CD2' HD12 ' A' ' 54' ' ' ILE . 40.9 mt -85.36 -52.41 5.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 5.8 mmt -49.74 -44.25 48.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -63.21 -63.32 1.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.17 -38.52 11.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.85 -41.75 98.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.3 t -116.28 41.84 2.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 52.0 m -157.09 104.99 1.9 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.602 0.715 . . . . 0.0 111.125 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.172 0 C-N-CA 122.7 2.266 . . . . 0.0 112.37 179.889 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m 47.95 40.37 12.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.855 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 t 60.97 38.03 17.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.67 -126.68 8.48 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.6 p -151.76 144.85 24.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 110.873 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -135.57 108.56 7.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.81 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.65 130.66 4.07 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.427 HD23 ' N ' ' A' ' 10' ' ' ARG . 3.1 tt -110.27 143.64 40.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 0.0 110.92 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.425 ' CG2' HD23 ' A' ' 31' ' ' LEU . 65.7 t -91.92 -58.84 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.427 ' N ' HD23 ' A' ' 8' ' ' LEU . 36.1 ttm-85 -144.49 158.54 43.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -154.69 96.17 0.16 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.526 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -133.83 179.13 17.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.478 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 71.4 m95 -98.82 129.69 45.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.864 0.364 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.482 HD12 ' CD1' ' A' ' 105' ' ' TRP . 33.1 mt -131.64 153.86 49.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.55 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 89.8 m95 -91.03 120.86 32.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.1 ttp85 -111.61 136.77 50.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -89.3 129.31 35.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.6 t -83.88 169.81 14.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.9 t -101.84 -59.17 1.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 23.5 mt -63.34 -38.7 82.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.8 tp -93.09 -15.59 25.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.1 mtt85 43.8 52.79 6.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 55.1 ttt-85 -148.46 152.44 36.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.446 ' CH2' ' HB2' ' A' ' 95' ' ' CYS . 90.0 m95 -76.24 147.25 38.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.55 156.36 43.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.55 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 49.7 mtm180 -78.55 131.49 36.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -146.2 141.42 27.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -98.42 107.74 20.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.5 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 15.9 m-85 -95.29 133.11 39.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.858 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.22 124.76 27.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.425 HD23 ' CG2' ' A' ' 9' ' ' VAL . 21.5 tp -93.6 137.7 32.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.416 ' CH2' HD12 ' A' ' 8' ' ' LEU . 64.8 m95 -105.17 148.95 26.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.9 mt -58.72 -36.52 74.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -53.82 -18.12 3.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.87 38.56 4.09 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.4 p -126.98 159.21 34.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 111.137 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.454 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 10.3 tp -129.34 113.01 14.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.31 134.36 8.55 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -118.29 127.5 53.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.903 0.383 . . . . 0.0 110.881 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 1.6 m-85 -111.63 168.19 9.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.938 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -48.31 -55.92 9.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 43' ' ' GLU . 1.1 m-20 -135.66 171.82 13.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 42' ' ' ASP . 7.9 pt-20 -36.34 -42.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 67.1 p -73.44 107.33 5.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.39 84.21 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -114.35 -41.94 3.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -117.93 79.13 1.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.41 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . 5.0 pt-20 -54.82 126.22 23.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -85.28 -43.48 13.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -170.69 175.41 4.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -152.17 122.78 7.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.438 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 35.3 m -114.8 156.61 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.432 HG11 ' N ' ' A' ' 54' ' ' ILE . 66.2 t -82.93 137.56 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.454 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 13.0 mm -108.43 -42.28 5.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 56' ' ' PHE . 25.7 t-80 -57.38 121.44 10.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 55' ' ' HIS . 24.6 m-85 37.05 47.4 0.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -128.27 -37.43 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.4 t -66.17 110.67 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.9 ttt85 -73.0 -41.78 63.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.424 ' C ' HG13 ' A' ' 61' ' ' ILE . 14.8 t70 -165.96 170.1 14.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.424 HG13 ' C ' ' A' ' 60' ' ' ASP . 90.3 mt -151.63 126.1 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.078 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -106.08 154.24 20.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 99.1 t -149.15 133.88 9.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . 65.25 -143.93 46.86 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.513 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.453 ' O ' ' C ' ' A' ' 66' ' ' GLU . 48.4 tp60 -37.34 -42.8 0.51 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.737 0.303 . . . . 0.0 110.914 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' GLN . 24.9 mt-10 -33.98 -43.57 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 21.9 p -41.53 151.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -130.93 -41.47 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -124.36 40.5 3.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.2 t -137.13 144.4 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.451 ' CG ' ' HD2' ' A' ' 72' ' ' PRO . 24.3 tt0 -130.06 139.76 36.62 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.578 0.704 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.46 ' CA ' HD12 ' A' ' 81' ' ' LEU . 53.7 Cg_endo -69.71 141.46 45.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.639 2.226 . . . . 0.0 112.344 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -165.77 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.701 2.267 . . . . 0.0 112.367 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -70.72 132.44 45.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.31 -61.98 3.86 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -48.09 176.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.855 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.39 161.53 36.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -58.65 -11.39 3.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -85.45 24.37 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -137.72 -30.55 0.25 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.46 HD12 ' CA ' ' A' ' 72' ' ' PRO . 6.8 mp -36.74 151.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.767 0.317 . . . . 0.0 110.937 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.426 ' C ' HD21 ' A' ' 82' ' ' LEU . 6.9 tt -168.85 125.99 0.99 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 36.1 m -129.59 140.37 51.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 85' ' ' ASN . 61.3 t -115.7 139.88 40.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.148 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.466 ' N ' HG13 ' A' ' 84' ' ' VAL . 2.4 m-80 -108.25 139.93 42.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 37.6 mt -109.61 144.98 37.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -55.78 -32.41 63.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -61.81 -20.04 63.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 120.21 -49.84 0.86 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.473 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 73.2 m -61.53 152.38 30.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.348 . . . . 0.0 110.888 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -118.76 -178.65 3.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.2 mt -133.33 112.89 12.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 43.0 m80 -84.18 115.78 22.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.5 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 25.5 mt -136.36 172.62 12.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.446 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 25.2 t -160.06 120.66 3.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.31 141.43 28.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -49.15 -39.61 29.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 64.7 p -134.15 163.99 28.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -59.09 -41.42 88.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -50.72 -54.29 24.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.3 -49.2 72.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.46 -54.37 33.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 63.5 mt -55.6 -46.84 79.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.17 -44.52 61.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.482 ' CD1' HD12 ' A' ' 14' ' ' LEU . 20.8 m95 -70.24 -41.37 73.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.944 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 57.2 tttt -59.77 -45.29 92.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 86.4 m -72.96 -43.57 62.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.66 -30.44 70.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.054 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 58.9 mt -84.85 -58.89 2.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 8.0 mmt -43.45 -42.13 4.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -64.39 -62.1 1.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -48.98 -31.59 7.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -69.44 -38.93 78.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -122.65 43.07 3.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 98.3 m -159.32 104.98 1.52 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.542 0.686 . . . . 0.0 111.155 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 175.27 8.33 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.244 . . . . 0.0 112.371 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -131.04 143.22 48.54 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.557 0.694 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 119' ' ' ALA . 53.8 Cg_endo -69.76 2.81 3.2 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.674 2.249 . . . . 0.0 112.346 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 118' ' ' PRO . . . -34.14 110.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.071 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 176.09 -56.14 0.11 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.512 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -144.14 105.45 4.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.888 0.375 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 7.3 t -144.93 158.37 43.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.194 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 2.1 m -131.01 142.14 44.5 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.653 0.74 . . . . 0.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 125' ' ' SER . 53.6 Cg_endo -69.76 2.75 3.25 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.645 2.23 . . . . 0.0 112.368 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 124' ' ' PRO . 19.0 p -34.61 131.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -159.48 -157.97 8.87 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.471 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.69 161.86 44.29 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.65 2.233 . . . . 0.0 112.411 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 92.4 p -129.69 -55.05 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.863 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 36.8 m -77.31 90.34 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.82 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -113.96 142.83 45.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 110.841 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -157.3 166.91 31.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.38 44.68 97.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.464 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -71.44 130.37 41.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 110.849 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 8' ' ' LEU . 6.7 t -148.73 140.04 23.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.859 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -34.31 -32.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 6' ' ' SER . 13.5 tp -94.63 145.85 24.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 0.0 110.953 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.3 t -109.09 -58.9 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.7 ttm-85 -159.73 154.01 23.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.412 ' HA3' ' CZ2' ' A' ' 28' ' ' TRP . . . -120.28 -148.64 8.15 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 127.77 177.55 14.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 72.2 m95 -123.22 136.47 54.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.842 0.353 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.417 HD13 ' NE1' ' A' ' 105' ' ' TRP . 10.3 mt -143.47 155.56 44.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.557 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 98.5 m95 -91.23 118.85 30.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.453 ' HB2' ' CD2' ' A' ' 94' ' ' LEU . 17.4 ttt85 -108.68 143.27 37.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -81.76 157.26 24.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.0 m -92.41 179.61 5.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.5 m -83.9 -65.42 1.01 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.787 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.8 pt -98.78 -26.18 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 22' ' ' ARG . 3.5 mm? -79.42 -13.18 59.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 21' ' ' LEU . 47.5 mtt180 34.58 37.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 21' ' ' LEU . 18.9 mtp85 -112.17 145.01 40.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.454 ' CD1' ' HB3' ' A' ' 73' ' ' PRO . 92.3 m95 -80.77 137.82 36.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 pttt -143.45 145.45 32.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.557 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 14.4 mtp85 -64.98 140.98 58.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -155.44 131.53 10.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.412 ' CZ2' ' HA3' ' A' ' 11' ' ' GLY . 8.8 t-105 -87.15 112.17 21.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.499 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 24.0 m-85 -98.05 148.72 23.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.918 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.32 131.81 12.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.061 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.6 tp -94.48 139.11 31.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -105.36 153.9 21.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mt -67.51 -25.46 65.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -63.51 -11.15 21.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.04 42.42 5.31 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.523 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.2 p -138.49 158.98 43.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 0.0 111.159 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.451 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 11.9 tp -125.97 120.25 29.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.949 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.84 139.4 11.7 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -113.88 122.82 48.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.855 0.359 . . . . 0.0 110.917 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.479 ' CD2' ' HA ' ' A' ' 45' ' ' ALA . 47.1 m-85 -113.76 170.95 7.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.95 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -67.56 -54.01 23.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -138.98 -177.24 4.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -42.79 -30.2 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.9 p -82.43 112.47 19.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.479 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . . . -82.14 40.36 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -83.71 -38.07 21.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -90.59 42.16 1.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -37.55 114.76 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -86.33 -51.66 6.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -174.86 173.48 2.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -153.32 124.46 7.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.7 m -105.27 171.17 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 54' ' ' ILE . 61.7 t -89.63 139.48 17.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.467 ' N ' HG12 ' A' ' 53' ' ' VAL . 8.9 mm -108.72 -40.71 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 56' ' ' PHE . 32.5 t-80 -54.04 120.07 5.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 55' ' ' HIS . 43.5 m-85 36.82 42.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -121.51 -12.22 8.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.3 t -90.28 101.16 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.42 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 3.3 tpt180 -68.05 -44.66 75.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.42 ' CG ' ' O ' ' A' ' 59' ' ' ARG . 10.6 m-20 -161.44 159.68 28.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 26.2 mt -138.18 121.0 19.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.44 ' HB3' ' CB ' ' A' ' 66' ' ' GLU . 17.8 mtpp -107.01 140.5 39.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.41 HG22 ' CD1' ' A' ' 82' ' ' LEU . 86.0 t -138.22 140.67 39.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . 50.4 -126.88 25.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 64' ' ' GLY . 32.7 mt-30 -35.15 -55.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.775 0.321 . . . . 0.0 110.928 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.44 ' CB ' ' HB3' ' A' ' 62' ' ' LYS . 22.9 mt-10 -36.5 -50.52 0.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 59.6 m -74.81 119.62 19.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -120.19 -63.25 1.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -40.96 -47.98 3.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.8 p -79.21 145.68 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -123.51 140.78 34.8 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.636 0.731 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.445 ' HB3' ' CD1' ' A' ' 81' ' ' LEU . 53.8 Cg_endo -69.76 148.51 65.25 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.651 2.234 . . . . 0.0 112.377 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.454 ' HB3' ' CD1' ' A' ' 24' ' ' TRP . 53.8 Cg_endo -69.78 -172.94 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.68 2.253 . . . . 0.0 112.332 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.489 ' C ' ' CD ' ' A' ' 74' ' ' GLU . 2.8 tm-20 -76.87 122.84 25.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.6 -34.47 5.55 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.455 ' NH2' ' CZ2' ' A' ' 15' ' ' TRP . 6.5 mpt_? -70.34 -177.39 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 0.0 110.847 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.4 m -128.79 153.33 47.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.3 mtm180 -61.5 -53.99 49.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -46.51 -20.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -74.32 -38.54 45.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 72' ' ' PRO . 5.5 mp -37.82 142.51 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.41 ' CD1' HG22 ' A' ' 63' ' ' VAL . 6.5 tp -156.77 115.65 3.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.9 m -116.77 113.73 22.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.176 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 92' ' ' LEU . 97.3 t -98.66 123.9 51.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -86.58 139.25 31.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 78.0 mt -119.0 143.42 47.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -53.8 -44.82 70.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -43.88 -29.77 0.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 107.33 34.05 3.01 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.485 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 m -149.9 107.52 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.904 0.383 . . . . 0.0 110.852 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.16 175.85 3.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 84' ' ' VAL . 8.6 mt -127.62 108.16 10.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -77.96 123.66 27.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.499 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 39.2 mt -146.75 174.62 11.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 51.6 t -156.1 115.12 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -87.37 150.7 23.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -52.92 -60.19 3.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 44.4 p -113.59 177.75 4.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -71.83 -31.81 66.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -61.43 -63.48 1.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -46.56 -45.0 18.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.08 -51.71 68.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.062 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 52.6 mt -59.3 -41.35 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.124 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -47.54 -53.94 13.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.417 ' NE1' HD13 ' A' ' 14' ' ' LEU . 69.9 m95 -61.38 -44.36 97.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 28.9 tttm -53.45 -46.62 69.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 94.5 m -72.49 -43.91 63.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.147 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.54 -31.12 71.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 42.9 mt -84.85 -54.34 4.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 10.2 mmt -47.23 -36.49 9.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.64 -67.92 0.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -46.58 -38.91 10.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.084 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.83 -39.36 77.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.4 t -117.61 43.26 2.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 15.6 m -153.86 104.93 2.48 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.562 0.696 . . . . 0.0 111.191 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 174.48 9.38 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.337 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -102.2 96.77 7.43 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.576 0.703 . . . . 0.0 111.117 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 2.78 3.2 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.248 . . . . 0.0 112.36 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -166.24 131.05 2.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 144.6 -171.41 25.92 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -82.58 134.7 35.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 39.5 m -91.65 94.21 9.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 64.5 t -120.97 86.55 42.12 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.656 0.741 . . . . 0.0 111.118 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 175.93 7.43 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.722 2.282 . . . . 0.0 112.339 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 29.9 m -69.93 114.88 8.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -145.47 146.93 17.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -28.45 25.15 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.714 2.276 . . . . 0.0 112.351 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 45.4 m -90.53 48.44 1.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 130' ' ' GLY . 13.3 t -82.73 86.1 6.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 129' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.367 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.3 p -111.95 163.48 14.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.888 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.5 m -122.79 -54.31 1.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.818 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.89 -60.4 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.468 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.0 t -133.62 84.8 2.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 110.837 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -170.77 106.39 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.796 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.461 ' CA ' ' HG ' ' A' ' 33' ' ' LEU . . . -87.01 73.27 2.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.4 tp -100.12 139.2 36.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 0.0 110.93 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 77.2 t -101.68 -57.04 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.3 ttm-85 -153.84 160.15 42.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -131.18 -119.04 2.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 77.57 -178.97 51.38 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 39.2 m95 -113.45 154.04 27.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.739 0.304 . . . . 0.0 110.94 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.426 HD12 ' NE1' ' A' ' 105' ' ' TRP . 93.7 mt -149.99 145.07 26.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.948 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.546 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 95.9 m95 -81.43 123.64 28.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.3 ttt85 -109.5 141.13 42.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -115.41 157.14 24.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -105.0 -175.28 2.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 t -98.33 -46.86 5.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.3 pt -91.85 -38.11 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 22' ' ' ARG . 56.9 mt -80.41 -20.39 44.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 21' ' ' LEU . 0.7 OUTLIER 34.44 41.04 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.8 mtt-85 -119.52 139.82 51.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -79.7 145.21 33.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -146.81 137.57 23.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.546 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 21.5 mtp180 -70.14 129.79 40.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -143.16 150.45 39.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -101.91 101.88 12.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.402 ' CD2' ' HB3' ' A' ' 39' ' ' TYR . 33.2 m-85 -91.79 141.08 29.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.65 124.97 12.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.1 tp -91.91 135.9 33.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -106.11 146.48 30.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.461 ' HG ' ' CA ' ' A' ' 7' ' ' GLY . 3.1 mt -55.01 -35.08 64.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -50.3 -18.41 0.61 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.59 30.29 7.74 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.3 p -124.34 163.17 22.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.827 0.346 . . . . 0.0 111.144 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.446 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 7.5 tp -130.29 117.9 20.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.37 139.92 13.03 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.443 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.414 ' CZ ' ' HB2' ' A' ' 50' ' ' ASP . 19.5 p90 -124.77 115.59 20.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.893 0.378 . . . . 0.0 110.959 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.508 ' CD2' ' HA ' ' A' ' 45' ' ' ALA . 5.7 m-85 -102.61 176.18 5.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.951 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -66.84 -47.68 71.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 43' ' ' GLU . 10.5 p-10 -151.85 -175.97 5.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 42' ' ' ASP . 8.5 tm-20 -34.99 -41.73 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.4 p -67.16 98.81 0.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.508 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . . . -82.4 44.67 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -99.65 -30.84 11.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 48' ' ' GLU . 4.3 t0 -87.85 43.72 1.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 47' ' ' ASP . 30.0 tt0 -35.81 102.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -75.42 -55.31 5.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.414 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 3.9 m-20 -159.2 176.18 12.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.409 ' CZ ' ' HB3' ' A' ' 51' ' ' ARG . 14.6 ttp-105 -154.92 118.98 4.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.1 m -107.31 159.94 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.0 t -86.35 139.58 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.446 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 19.8 mm -108.61 -39.2 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -60.39 120.82 10.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 38.32 47.03 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -126.05 -32.25 2.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 77.3 t -71.22 119.93 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -82.52 -42.68 18.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -162.84 168.81 20.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 77.4 mt -146.71 120.84 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.418 ' C ' HG23 ' A' ' 63' ' ' VAL . 63.2 mttt -104.68 145.12 30.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.418 HG23 ' C ' ' A' ' 62' ' ' LYS . 89.8 t -143.7 137.21 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.44 -132.56 32.69 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.481 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 67' ' ' CYS . 14.1 pt20 -50.22 -39.82 45.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.73 0.3 . . . . 0.0 110.881 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 65' ' ' GLN . 10.8 mt-10 -34.76 -33.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 65' ' ' GLN . 20.2 p -45.41 167.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.444 ' CG ' ' N ' ' A' ' 69' ' ' ASP . 6.6 pt20 -132.66 -53.78 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.933 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.444 ' N ' ' CG ' ' A' ' 68' ' ' GLN . 9.3 p30 -126.58 8.45 7.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.526 HG22 ' CD2' ' A' ' 93' ' ' HIS . 11.1 t -89.05 139.04 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -128.54 138.65 33.53 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.574 0.702 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 147.1 62.19 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.229 . . . . 0.0 112.357 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 74' ' ' GLU . 53.2 Cg_endo -69.78 151.83 69.04 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.641 2.227 . . . . 0.0 112.365 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 73' ' ' PRO . 4.2 tp10 -37.57 120.61 0.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.79 -58.18 0.63 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.467 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -52.72 173.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.353 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.2 t -115.91 165.12 13.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.2 mtp180 -74.76 -4.71 39.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.57 -22.58 28.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -82.25 -12.17 81.12 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.524 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.2 mp -54.17 147.39 13.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 tp -158.8 112.72 2.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 96.9 m -115.05 115.69 27.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.182 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.452 HG13 ' N ' ' A' ' 85' ' ' ASN . 44.8 t -94.53 146.19 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.095 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.452 ' N ' HG13 ' A' ' 84' ' ' VAL . 1.6 m-80 -116.18 134.51 54.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 37.8 mt -107.13 156.43 18.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -78.69 -23.56 45.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -62.47 -52.62 62.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 143.09 52.83 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -174.64 139.22 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 0.0 110.859 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -103.5 171.44 7.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.0 mt -126.32 102.29 7.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.526 ' CD2' HG22 ' A' ' 70' ' ' VAL . 1.0 OUTLIER -79.38 98.29 6.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.804 179.899 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.0 mt -118.37 176.87 5.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 45.7 t -155.89 126.93 7.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.67 173.18 7.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -74.98 -46.71 33.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.6 p -132.2 143.26 49.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.435 ' NH1' ' OD1' ' A' ' 100' ' ' ASP . 0.0 OUTLIER -40.9 -27.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.435 ' OD1' ' NH1' ' A' ' 99' ' ' ARG . 2.7 m-20 -59.28 -66.0 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -50.05 -49.44 51.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.38 -46.39 37.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.162 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 60.6 mt -69.67 -37.46 74.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.56 -43.13 68.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.426 ' NE1' HD12 ' A' ' 14' ' ' LEU . 68.5 m95 -67.69 -44.0 78.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 37.2 tttt -51.1 -43.18 61.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 91.4 m -73.06 -43.61 61.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.04 -29.87 70.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.04 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 54.9 mt -85.49 -48.99 8.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 19.8 mmt -55.13 -42.01 72.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -65.89 -64.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.13 -37.94 23.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.103 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -64.19 -40.87 97.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.3 t -115.7 45.52 1.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 96.9 m -165.71 105.04 0.73 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.54 0.686 . . . . 0.0 111.147 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 -177.98 2.16 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.655 2.236 . . . . 0.0 112.314 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -120.79 135.38 24.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.549 0.69 . . . . 0.0 111.115 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -14.21 35.83 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.706 2.27 . . . . 0.0 112.346 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -95.87 163.67 13.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 115.12 143.54 8.1 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.473 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.17 106.92 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.899 0.38 . . . . 0.0 111.13 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 27.2 m -95.94 99.7 11.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 35.6 m -92.57 147.49 34.38 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.629 0.728 . . . . 0.0 111.115 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -41.11 4.46 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.674 2.25 . . . . 0.0 112.319 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 6.7 t -174.8 172.75 2.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 157.61 143.27 3.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -16.96 37.69 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.692 2.262 . . . . 0.0 112.332 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.7 m -76.54 143.94 40.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 29.2 t -88.42 165.74 14.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.536 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m -71.95 93.19 1.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.84 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.7 m -122.17 136.8 54.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.22 74.83 0.14 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.452 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.7 p -113.33 96.29 5.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.868 0.366 . . . . 0.0 110.846 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.9 p -54.06 -176.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.44 -57.4 0.43 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 tp -93.79 137.02 33.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.857 0.361 . . . . 0.0 110.899 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.6 t -91.29 -61.64 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -151.54 155.28 38.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -135.2 136.24 8.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.509 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -173.15 142.24 6.58 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.44 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -68.74 133.7 48.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.795 0.331 . . . . 0.0 110.934 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.402 HD11 ' CE2' ' A' ' 105' ' ' TRP . 66.7 mt -131.13 143.48 50.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.52 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 73.7 m95 -84.24 121.07 26.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.4 ttt-85 -118.57 144.31 46.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -108.61 133.61 52.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 t -74.01 -177.03 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.7 m -100.52 -49.01 4.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 42.8 mt -83.53 -50.67 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.78 -17.17 63.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.937 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.7 mtp180 41.5 30.64 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.8 ttt180 -113.62 156.86 22.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -89.07 142.57 27.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -144.25 141.23 29.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.52 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 9.2 mtt180 -73.79 138.12 44.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -151.53 139.47 20.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -88.39 103.53 15.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.566 ' CE2' ' CD2' ' A' ' 39' ' ' TYR . 30.9 m-85 -90.81 122.26 33.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.61 139.14 54.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.127 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 31.3 tp -106.6 133.69 50.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -103.84 148.96 25.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mt -59.33 -27.64 66.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -59.26 -15.56 16.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.75 35.52 6.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.519 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.2 p -127.97 145.31 51.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.816 0.341 . . . . 0.0 111.156 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.467 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 11.2 tp -110.64 117.69 34.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.52 127.18 5.17 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.46 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.566 ' CD2' ' CE2' ' A' ' 29' ' ' PHE . 11.8 p90 -110.82 150.86 28.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.893 0.378 . . . . 0.0 110.925 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.569 ' CD2' ' HA ' ' A' ' 48' ' ' GLU . 2.4 m-85 -136.49 174.92 10.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.557 ' CD2' ' OD2' ' A' ' 47' ' ' ASP . 16.7 m-70 -77.52 -31.38 53.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.87 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 44' ' ' THR . 33.6 t0 -162.55 179.6 7.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -39.88 -27.12 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 42' ' ' ASP . 61.9 p -67.56 97.62 0.61 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.48 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . . . -70.69 -17.98 62.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -60.08 -13.91 14.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.557 ' OD2' ' CD2' ' A' ' 41' ' ' HIS . 6.7 t70 -103.93 45.18 0.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.569 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . 6.3 pt-20 -49.94 106.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -73.28 -35.72 66.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 5.1 t70 -174.85 174.27 2.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -155.62 119.65 4.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.42 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 22.6 m -115.3 164.87 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 63.1 t -90.01 136.04 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 37' ' ' LEU . 32.6 mm -107.61 -43.24 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 56' ' ' PHE . 14.5 t60 -49.3 117.54 2.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.436 ' C ' ' O ' ' A' ' 55' ' ' HIS . 19.3 m-85 35.0 47.98 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -123.52 -24.47 4.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.0 t -75.51 106.65 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.084 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.429 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 4.6 tpt180 -73.73 -38.35 64.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 59' ' ' ARG . 18.7 m-20 -162.12 171.64 17.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 83.5 mt -152.82 118.2 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.144 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -105.22 143.04 33.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.6 t -140.74 134.53 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . 61.45 -133.66 47.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.52 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 66' ' ' GLU . 45.8 tt0 -37.43 -50.14 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.735 0.302 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 65' ' ' GLN . 26.4 mt-10 -37.48 -51.21 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 81.9 m -75.65 116.36 16.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -125.08 1.17 7.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -110.89 34.94 3.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.8 p -156.33 139.88 7.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -96.8 127.88 37.73 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.607 0.717 . . . . 0.0 110.958 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 142.74 48.67 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.728 2.285 . . . . 0.0 112.314 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 162.78 40.78 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.709 2.272 . . . . 0.0 112.301 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -66.54 131.24 45.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.51 -59.52 0.5 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.504 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -64.86 -178.98 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.792 0.33 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.1 m -123.46 164.69 18.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -56.25 -43.56 78.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -54.3 -16.94 2.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -77.23 -32.47 48.05 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 mp -46.24 151.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 110.948 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.7 tp -166.23 110.78 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.4 m -112.2 133.63 54.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 98.8 t -113.69 129.02 70.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -94.21 139.71 30.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.6 mt -117.87 145.23 44.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 88' ' ' GLU . 25.0 mtt180 -61.85 -45.15 95.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 87' ' ' ARG . 9.9 pt-20 -36.67 -47.1 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 132.73 45.11 0.13 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.468 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 t -161.55 160.37 28.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 0.0 110.847 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.1 ptt-85 -117.43 164.15 15.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.9 mt -121.92 107.46 12.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -82.69 110.65 17.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.821 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 16.2 mt -130.76 167.82 18.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.477 ' N ' ' O ' ' A' ' 15' ' ' TRP . 2.7 t -150.61 123.24 8.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -86.73 -176.94 5.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.467 ' HG2' ' N ' ' A' ' 98' ' ' THR . 24.4 pm0 -96.72 -32.66 12.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.467 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 80.5 p -135.1 151.76 51.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.165 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 30.0 ptt180 -55.82 -41.62 74.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -55.76 -51.82 66.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.77 -51.15 70.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.55 -52.35 23.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.132 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 85.9 mt -59.09 -40.76 81.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.175 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.49 -47.45 66.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.102 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.402 ' CE2' HD11 ' A' ' 14' ' ' LEU . 32.0 m95 -60.87 -47.13 87.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -50.03 -40.86 46.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 87.2 m -73.61 -44.97 55.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.2 -29.41 70.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 44.4 mt -85.41 -51.91 6.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 8.6 mmt -57.34 -32.6 66.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -68.77 -67.6 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.16 -28.56 7.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.162 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.428 ' ND2' ' HG ' ' A' ' 114' ' ' SER . 2.0 t30 -65.42 -43.53 90.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.428 ' HG ' ' ND2' ' A' ' 113' ' ' ASN . 67.1 m -114.01 42.72 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.821 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 13.4 m -157.36 105.08 1.85 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.588 0.708 . . . . 0.0 111.138 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 175.69 7.82 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.689 2.259 . . . . 0.0 112.306 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -101.85 143.88 27.48 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.515 0.674 . . . . 0.0 111.131 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -19.88 35.75 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.671 2.247 . . . . 0.0 112.347 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.38 -60.22 3.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 112.25 90.64 1.93 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.504 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -122.4 176.57 5.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.853 0.358 . . . . 0.0 111.098 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 81.6 p -126.55 168.28 14.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.152 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 13.6 m -103.62 146.07 31.81 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.659 0.742 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 179.03 3.99 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.701 2.267 . . . . 0.0 112.364 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.5 t -53.7 145.42 15.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -108.75 82.13 0.3 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -24.65 29.3 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.695 2.264 . . . . 0.0 112.303 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 70.2 p -80.22 136.7 36.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 130' ' ' GLY . 6.6 t -98.81 113.42 25.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.845 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 129' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.46 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.2 m -102.65 134.21 46.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.36 . . . . 0.0 110.842 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 m 64.42 46.41 3.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.32 138.43 14.89 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.454 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -138.32 112.1 8.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.889 0.376 . . . . 0.0 110.845 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.0 p -105.82 158.5 16.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.38 116.47 0.55 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.471 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.5 tp -96.3 143.69 27.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.835 0.35 . . . . 0.0 110.944 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.464 HG22 ' CD2' ' A' ' 33' ' ' LEU . 36.7 t -99.58 -60.75 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 10' ' ' ARG . 3.4 ptp180 -150.24 173.65 13.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.42 -147.45 4.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.24 159.77 10.96 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 53.2 m95 -101.03 140.99 34.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.767 0.318 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.1 mt -139.11 143.66 38.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.555 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 86.6 m95 -84.65 115.56 22.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.451 ' HB2' ' CD2' ' A' ' 94' ' ' LEU . 16.8 ttp85 -108.2 139.73 42.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -94.07 118.22 31.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.1 m -56.92 177.65 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -95.21 -57.64 2.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.7 tp -80.29 -37.6 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 23' ' ' ARG . 18.9 mt -82.19 -15.64 52.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 40.04 25.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 21' ' ' LEU . 19.1 mtm180 -110.66 145.91 37.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.516 ' CG ' ' HB3' ' A' ' 73' ' ' PRO . 98.8 m95 -68.19 144.09 55.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -143.43 145.82 32.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.555 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 28.0 mtm180 -76.08 124.3 27.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -140.22 132.09 27.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 46.6 t90 -91.91 104.79 17.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.551 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 47.1 m-85 -95.3 137.8 33.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.86 143.84 38.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.7 tp -96.51 148.04 23.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.95 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -116.39 156.17 27.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.464 ' CD2' HG22 ' A' ' 9' ' ' VAL . 3.2 mt -66.12 -20.29 66.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -83.92 20.13 1.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 57.28 58.32 15.17 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.498 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.1 p -145.08 153.69 41.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 0.0 111.115 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.447 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 11.5 tp -122.68 107.0 11.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.6 129.63 8.53 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.47 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -115.69 145.45 42.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.926 0.393 . . . . 0.0 110.912 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.52 ' CD2' ' HA ' ' A' ' 48' ' ' GLU . 1.2 m-85 -125.42 173.03 9.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.946 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 -63.23 -45.81 89.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -134.6 168.72 18.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -44.56 -39.5 4.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 46' ' ' GLN . 77.4 p -65.3 88.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.123 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.47 82.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 44' ' ' THR . 37.4 mt-30 -124.04 -47.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.61 73.01 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.52 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . 7.3 pt-20 -55.01 114.66 1.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -68.8 -48.12 64.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -166.32 175.95 7.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 37.9 ttp180 -144.82 122.83 12.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.4 m -119.75 126.07 74.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.9 t -57.39 140.97 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.447 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 17.1 mm -109.79 -39.68 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -58.14 122.46 13.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 37.51 41.05 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -117.6 -37.49 3.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.4 t -67.17 122.6 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.146 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.3 ttt85 -85.41 -35.65 21.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -171.5 160.86 6.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.8 mt -141.38 127.22 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.462 ' CE ' ' HB3' ' A' ' 66' ' ' GLU . 2.9 mmmm -110.39 162.65 14.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 51.1 t -149.23 149.57 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.73 -133.95 52.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 67' ' ' CYS . 44.6 tt0 -47.99 -50.07 28.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.802 0.334 . . . . 0.0 110.941 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.462 ' HB3' ' CE ' ' A' ' 62' ' ' LYS . 19.0 mt-10 -39.76 -25.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 65' ' ' GLN . 31.6 p -43.76 167.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -85.79 71.26 10.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 t0 38.41 37.19 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.1 p -103.02 135.22 41.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -89.45 140.07 28.36 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.586 0.708 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 157.31 60.7 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.688 2.259 . . . . 0.0 112.321 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.516 ' HB3' ' CG ' ' A' ' 24' ' ' TRP . 54.1 Cg_endo -69.74 146.5 60.48 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.374 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -40.71 127.57 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.27 -63.11 0.54 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.435 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -55.98 174.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.782 0.325 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 74.8 m -110.38 174.7 5.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.7 mtm-85 -77.56 -33.4 54.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.02 -9.32 37.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -83.14 -20.77 60.14 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.506 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.405 ' CD2' ' SG ' ' A' ' 67' ' ' CYS . 1.8 mp -50.98 145.71 7.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.93 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 tp -161.71 110.39 1.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.1 m -112.26 144.37 41.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 46.5 t -124.39 136.35 60.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.165 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -102.24 136.06 42.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 70.4 mt -104.86 141.78 35.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -62.38 -31.0 71.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -55.85 -46.34 78.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 134.89 54.34 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.499 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 51.0 m -161.78 165.3 28.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.892 0.377 . . . . 0.0 110.799 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -123.99 158.45 32.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.849 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.0 mt -125.54 101.59 6.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -81.12 117.58 21.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.82 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.551 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 63.3 mt -137.07 163.61 30.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 37.4 t -148.05 126.01 12.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.812 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.75 173.14 7.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 98' ' ' THR . 17.6 pt-20 -76.24 -46.82 26.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.43 ' N ' ' HG3' ' A' ' 97' ' ' GLU . 82.5 p -124.8 165.04 18.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -69.11 -12.06 61.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -75.9 -54.03 7.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.99 -37.92 77.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.47 -51.43 69.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 80.3 mt -59.04 -46.35 91.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.1 -44.4 52.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 14.8 m95 -68.31 -44.19 75.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.959 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.5 tttm -57.14 -42.26 80.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 95.0 m -74.44 -45.99 42.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.85 -30.19 70.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 61.1 mt -85.05 -55.96 3.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 10.5 mmt -50.92 -33.21 23.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -73.02 -64.17 1.02 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.15 -33.26 11.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.077 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -67.91 -35.62 78.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 92.2 p -117.91 37.47 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 7.0 m -152.58 105.01 2.72 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.602 0.715 . . . . 0.0 111.155 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 174.03 10.09 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.709 2.273 . . . . 0.0 112.344 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -110.67 85.07 4.52 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.54 0.686 . . . . 0.0 111.073 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 87.15 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 2.252 . . . . 0.0 112.371 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -161.6 126.07 3.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -164.96 61.05 0.24 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.471 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.81 156.32 1.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.854 0.359 . . . . 0.0 111.104 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 73.3 p -82.01 -39.81 23.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.137 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 3.1 p -78.83 129.26 74.18 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.606 0.717 . . . . 0.0 111.142 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 123.4 10.08 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.706 2.271 . . . . 0.0 112.347 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 59.1 p -126.66 150.91 48.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.846 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -150.08 143.71 11.06 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.473 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 90.89 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.686 2.258 . . . . 0.0 112.323 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 73.4 p -99.79 95.39 6.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 34.7 t -104.45 128.97 52.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.823 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.464 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -164.81 154.25 13.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.892 0.377 . . . . 0.0 110.889 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t 39.0 43.58 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.6 177.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.477 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.2 p -111.35 122.51 48.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.87 0.367 . . . . 0.0 110.876 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.7 p -108.9 90.44 3.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.58 -53.04 4.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.543 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tt -103.73 133.92 47.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 89.6 t -85.23 -56.83 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.2 ttm-85 -165.41 148.19 7.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.55 ' HA3' ' CZ2' ' A' ' 28' ' ' TRP . . . -143.62 137.31 7.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.484 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.26 149.02 17.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.495 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 49.0 m95 -68.87 142.57 54.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.814 0.34 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.6 mt -151.29 139.51 20.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.539 ' CH2' ' CD ' ' A' ' 26' ' ' ARG . 99.1 m95 -74.83 123.34 24.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.9 ttp85 -119.1 139.3 52.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.425 ' NE2' ' CZ2' ' A' ' 24' ' ' TRP . 17.5 mt-30 -84.53 144.99 28.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.6 m -65.26 -177.53 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 m -73.04 -68.75 0.46 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.826 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.3 pt -124.32 34.08 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.1 tp -120.95 -14.68 8.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 50.07 49.48 20.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -125.08 128.16 48.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.425 ' CZ2' ' NE2' ' A' ' 17' ' ' GLN . 98.6 m95 -74.92 131.78 40.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -125.42 150.28 47.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.539 ' CD ' ' CH2' ' A' ' 15' ' ' TRP . 36.4 mtm180 -92.28 119.57 31.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -139.46 169.91 16.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.55 ' CZ2' ' HA3' ' A' ' 11' ' ' GLY . 13.2 t-105 -113.74 117.54 31.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -107.3 130.67 54.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.47 136.42 36.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.071 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 30.3 tp -95.11 146.7 24.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -112.27 163.92 13.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mt -71.82 -20.96 61.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -80.22 11.28 3.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.41 55.57 22.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.9 p -141.2 136.65 31.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.841 0.353 . . . . 0.0 111.152 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.449 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 8.5 tp -107.16 107.6 18.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.83 141.46 16.0 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.505 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -123.37 141.15 52.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.925 0.393 . . . . 0.0 110.911 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.484 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 1.4 m-85 -124.06 159.6 29.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -56.99 -45.38 83.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -104.39 163.07 12.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -50.0 -38.21 36.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.93 -178.89 6.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.161 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.484 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . . . -106.65 95.93 6.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -125.39 -46.02 1.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.82 74.24 0.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -40.36 132.37 2.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -103.37 -54.85 2.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -164.58 175.16 10.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.7 ttm105 -154.87 121.3 5.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.7 m -113.79 128.65 70.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.174 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.7 t -57.03 137.3 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.449 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 23.1 mm -107.38 -38.94 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 56' ' ' PHE . 8.6 t-80 -46.84 116.8 1.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 55' ' ' HIS . 86.7 m-85 36.66 41.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -126.81 16.57 7.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 69.6 t -111.12 102.92 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -59.66 -60.52 3.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -161.63 144.78 12.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 86.0 mt -116.76 121.61 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.442 ' HB3' ' CB ' ' A' ' 66' ' ' GLU . 76.8 mttt -102.74 155.39 18.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.6 t -149.06 132.97 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.099 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.57 -125.05 9.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 66' ' ' GLU . 27.9 mt-30 -58.95 -47.24 85.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.725 0.297 . . . . 0.0 110.917 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.442 ' CB ' ' HB3' ' A' ' 62' ' ' LYS . 41.6 mt-10 -35.21 -45.14 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 m -42.31 153.92 0.06 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 69' ' ' ASP . 41.4 tp60 -72.35 81.08 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 68' ' ' GLN . 2.6 m-20 35.07 37.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.4 t -74.13 137.44 23.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -93.82 129.35 38.31 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.61 0.719 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 148.18 64.57 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -163.69 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.335 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -77.01 130.82 37.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.839 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.28 -55.01 3.21 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.454 ' CD ' ' N ' ' A' ' 76' ' ' ARG . 5.5 mpt_? -60.56 175.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.809 0.338 . . . . 0.0 110.889 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 t -135.68 -178.31 5.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.1 mmm-85 -75.06 -1.0 20.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -102.07 15.76 28.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.805 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -124.97 -22.72 1.91 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.2 mp -46.39 153.39 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.825 0.345 . . . . 0.0 110.935 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.5 tp -164.15 112.64 1.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.412 HG23 ' N ' ' A' ' 84' ' ' VAL . 88.5 m -117.64 137.58 52.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.412 ' N ' HG23 ' A' ' 83' ' ' THR . 47.2 t -116.99 149.87 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -120.04 130.08 54.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.8 mt -105.17 149.9 25.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 34.8 mtt180 -71.97 -26.97 62.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -60.79 -15.39 29.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.74 53.46 0.98 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.518 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 m -168.02 146.61 4.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.889 0.376 . . . . 0.0 110.853 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.4 mtm180 -115.2 170.69 8.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.803 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.0 mt -132.27 103.3 6.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -79.2 97.28 6.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.2 mt -114.57 164.84 13.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 8.8 t -147.72 121.57 9.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -88.0 175.88 7.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.462 ' HG2' ' N ' ' A' ' 98' ' ' THR . 0.8 OUTLIER -90.06 -31.79 17.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.462 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 77.1 p -137.42 160.34 39.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.147 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -62.37 -41.21 98.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.836 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -55.45 -53.45 56.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.67 -46.43 81.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.62 -57.39 10.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 46.7 mt -49.23 -45.63 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -47.97 -54.49 12.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -56.37 -45.69 80.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 66.5 tttt -53.02 -46.98 68.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 37.5 m -72.03 -39.0 69.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.165 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.66 -31.44 72.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 53.5 mt -88.62 -47.63 8.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 8.2 mmt -56.33 -38.6 71.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -66.03 -62.31 1.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.48 -42.25 64.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.107 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.02 -33.17 70.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.865 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 48.5 m -121.7 44.48 2.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 92.7 m -166.16 111.48 0.73 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.549 0.69 . . . . 0.0 111.143 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 167.85 23.31 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.691 2.261 . . . . 0.0 112.352 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.16 141.71 35.33 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.613 0.72 . . . . 0.0 111.089 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -8.01 22.51 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.712 2.274 . . . . 0.0 112.318 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -109.94 158.81 17.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.062 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -144.81 69.34 0.4 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.28 -62.42 1.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.817 0.341 . . . . 0.0 111.084 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 89.5 m -73.14 142.24 47.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.476 ' CG2' ' HD2' ' A' ' 124' ' ' PRO . 5.4 p -48.8 138.67 12.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.635 0.731 . . . . 0.0 111.092 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 123' ' ' VAL . 54.1 Cg_endo -69.74 146.11 59.31 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.717 2.278 . . . . 0.0 112.361 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 91.2 p -59.02 170.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -54.97 165.3 3.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.472 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 128' ' ' SER . 53.7 Cg_endo -69.74 -4.9 14.94 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.668 2.246 . . . . 0.0 112.398 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 127' ' ' PRO . 61.5 m -37.1 -56.91 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 96.5 p -70.19 120.63 16.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.465 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -172.08 126.47 0.56 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.88 0.372 . . . . 0.0 110.858 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.4 p -122.04 170.5 9.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.837 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.76 73.46 1.2 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.8 p -162.52 157.75 22.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.875 0.369 . . . . 0.0 110.855 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.4 m -53.06 150.84 5.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.08 85.23 1.12 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.483 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 tt -109.98 140.37 44.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.833 0.349 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.434 HG21 ' CD2' ' A' ' 33' ' ' LEU . 87.5 t -97.57 -61.88 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.8 tpm_? -135.91 144.57 45.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -150.23 107.45 0.35 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.532 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -147.94 161.87 28.64 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.445 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 58.3 m95 -80.5 133.15 35.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.783 0.325 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.412 HD13 ' NE1' ' A' ' 105' ' ' TRP . 25.7 mt -140.72 139.34 34.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.559 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 94.3 m95 -76.02 119.13 19.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.403 ' O ' ' CD ' ' A' ' 25' ' ' LYS . 24.8 ttp85 -110.36 149.18 30.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -112.24 104.64 12.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 p -50.98 175.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 53.1 p -111.44 -20.67 12.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.6 mp -94.16 -39.9 10.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.4 tp -94.6 -21.01 19.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 34.9 mtt-85 52.68 49.82 19.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -139.32 151.56 46.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.599 ' CH2' ' SG ' ' A' ' 95' ' ' CYS . 99.8 m95 -78.71 147.67 33.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -154.39 143.31 21.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.559 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 37.0 mtt180 -75.45 122.98 24.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -134.66 155.29 50.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.42 ' CE3' ' HA ' ' A' ' 43' ' ' GLU . 37.2 t90 -106.74 106.13 16.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 39' ' ' TYR . 33.6 m-85 -96.3 141.1 30.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.25 127.96 18.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.423 ' CD1' HG13 ' A' ' 54' ' ' ILE . 17.8 tp -91.73 138.48 31.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 62.3 m95 -105.21 164.23 11.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.434 ' CD2' HG21 ' A' ' 9' ' ' VAL . 3.4 mt -76.87 -33.23 57.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.2 p30 -55.78 -22.8 26.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.01 40.82 2.38 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.453 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.4 p -133.68 155.72 49.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.368 . . . . 0.0 111.111 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.466 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . 12.7 tp -125.9 116.74 21.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.77 139.01 11.45 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.493 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.561 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 28.3 p90 -122.49 118.14 27.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.903 0.383 . . . . 0.0 110.871 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.508 ' CG ' ' HA ' ' A' ' 45' ' ' ALA . 5.7 m-85 -109.68 168.1 9.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -55.79 -54.87 39.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.806 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -124.61 177.23 6.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.42 ' HA ' ' CE3' ' A' ' 28' ' ' TRP . 1.2 pm0 -61.7 -21.68 64.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.2 p -59.03 -24.59 62.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.169 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.508 ' HA ' ' CG ' ' A' ' 40' ' ' TYR . . . 52.84 43.76 31.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.075 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -84.95 -53.14 5.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -90.78 104.71 17.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.469 ' HG3' ' CE2' ' A' ' 40' ' ' TYR . 10.7 tt0 -78.05 100.6 6.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -67.48 -49.92 61.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -169.56 172.12 7.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 51' ' ' ARG . 17.3 ttp-105 -146.76 125.07 12.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.851 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.466 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 27.3 m -117.16 126.03 74.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.5 t -59.84 139.66 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.082 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.458 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 22.4 mm -107.09 -41.23 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 56' ' ' PHE . 7.8 t60 -43.17 108.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 55' ' ' HIS . 64.9 m-85 36.84 47.99 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -124.92 11.34 8.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 70.5 t -101.18 134.85 40.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -98.39 -35.96 10.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -174.54 158.83 2.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.419 ' CG2' ' HG3' ' A' ' 106' ' ' LYS . 97.1 mt -141.6 118.19 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -107.05 140.25 40.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 90.0 t -131.26 135.33 59.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.92 -133.89 43.56 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.41 ' HG3' ' N ' ' A' ' 66' ' ' GLU . 22.8 pt20 -42.9 -46.89 5.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.317 . . . . 0.0 110.857 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' A' ' 65' ' ' GLN . 25.8 mt-10 -40.03 -50.58 2.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.459 ' HB3' ' CG1' ' A' ' 70' ' ' VAL . 36.1 m -52.37 139.78 23.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -133.65 155.13 50.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.5 t70 59.54 30.82 20.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.459 ' CG1' ' HB3' ' A' ' 67' ' ' CYS . 5.4 p -140.87 128.94 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -103.7 135.18 19.4 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.646 0.736 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 137.29 35.32 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.682 2.254 . . . . 0.0 112.392 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.415 ' HB3' ' CG ' ' A' ' 24' ' ' TRP . 53.5 Cg_endo -69.76 165.88 29.48 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.361 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -57.1 133.34 54.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.75 -62.71 1.6 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.464 ' N ' ' HD2' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -51.52 -174.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 110.849 -179.852 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.8 m -131.25 166.23 21.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -60.19 -47.58 85.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -57.56 -31.59 66.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -59.47 -34.13 79.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.3 mp -39.04 146.52 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.863 0.363 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.0 tp -162.67 110.97 1.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 98.8 m -116.09 132.61 56.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.45 HG11 ' N ' ' A' ' 85' ' ' ASN . 48.0 t -109.61 139.9 30.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.45 ' N ' HG11 ' A' ' 84' ' ' VAL . 5.9 m-80 -112.25 137.88 49.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 88.0 mt -103.26 139.52 38.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -49.53 -29.73 7.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 89' ' ' GLY . 16.4 pt-20 -65.63 -46.12 80.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.428 ' N ' ' HG3' ' A' ' 88' ' ' GLU . . . 150.42 -52.17 0.52 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 75.4 p -56.85 143.21 38.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 110.854 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -114.44 177.36 4.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.6 mt -133.36 125.04 28.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -96.91 110.09 22.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.819 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.549 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 12.2 mt -133.93 160.65 37.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.599 ' SG ' ' CH2' ' A' ' 24' ' ' TRP . 22.1 m -138.03 148.58 45.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -118.63 166.15 13.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -67.29 -50.44 60.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 82.3 p -133.71 166.98 21.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -62.31 -40.01 94.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.04 -58.25 7.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.92 -40.91 85.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.66 -50.47 73.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 29.9 mt -54.3 -41.9 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.74 -44.13 58.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.412 ' NE1' HD13 ' A' ' 14' ' ' LEU . 27.4 m95 -64.7 -46.1 83.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.419 ' HG3' ' CG2' ' A' ' 61' ' ' ILE . 35.0 tttt -53.18 -43.48 67.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 90.6 m -74.04 -43.77 56.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.137 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.67 -32.29 71.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.11 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 65.9 mt -84.97 -50.73 7.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 8.5 mmt -54.94 -43.97 73.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -56.42 -64.14 0.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.12 -41.23 62.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.084 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -61.15 -34.69 75.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.5 p -117.39 35.11 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.412 ' HA ' ' HD2' ' A' ' 116' ' ' PRO . 54.3 m -151.22 104.95 2.96 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.537 0.684 . . . . 0.0 111.193 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 115' ' ' THR . 53.3 Cg_endo -69.75 175.35 8.21 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.686 2.258 . . . . 0.0 112.307 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -125.0 161.42 49.41 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.577 0.703 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 0.61 5.4 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.352 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -129.21 153.67 47.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -131.0 123.79 3.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -133.87 173.17 11.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 111.128 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 11.7 t -155.14 139.05 16.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 35.3 m -136.19 150.24 70.41 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.665 0.745 . . . . 0.0 111.136 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -179.54 3.0 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.677 2.251 . . . . 0.0 112.322 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.7 m -148.39 171.8 15.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -82.02 -97.78 0.46 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.5 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -50.45 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.677 2.251 . . . . 0.0 112.374 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.8 m -58.34 171.05 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.0 m -57.71 156.0 9.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m -95.56 82.24 3.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.898 0.38 . . . . 0.0 110.87 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.1 t 42.42 43.64 3.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.81 -40.82 0.4 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.522 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.1 t -117.35 130.0 56.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 110.874 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.6 p -87.68 143.7 27.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.401 ' CA ' ' HG ' ' A' ' 33' ' ' LEU . . . 108.37 -52.09 0.67 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.522 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.3 tp -96.01 142.83 27.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.847 0.356 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.427 HG22 ' CD2' ' A' ' 33' ' ' LEU . 98.5 t -98.09 -57.85 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.5 ttt85 -166.9 148.67 6.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -125.71 -159.93 10.47 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.443 ' N ' ' CZ3' ' A' ' 28' ' ' TRP . . . 133.31 126.72 2.71 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.543 ' CH2' ' HA ' ' A' ' 42' ' ' ASP . 72.2 m95 -63.95 133.22 52.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.816 0.341 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.439 HD13 ' NE1' ' A' ' 105' ' ' TRP . 18.1 mt -136.93 141.96 42.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.563 ' CZ3' ' HG3' ' A' ' 26' ' ' ARG . 87.6 m95 -76.59 116.48 17.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.8 ttt85 -109.49 134.59 51.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -84.58 163.36 19.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.8 m -114.71 174.04 6.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.827 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.5 t -103.43 -40.69 6.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.828 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 46.1 mm -93.15 -37.57 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -86.84 -20.42 27.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 44.96 44.91 8.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.5 ttt-85 -138.26 151.38 47.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -77.09 139.76 40.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.3 pttt -136.2 143.02 44.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.563 ' HG3' ' CZ3' ' A' ' 15' ' ' TRP . 1.7 mtp-105 -74.42 126.68 31.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -142.94 131.45 22.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.443 ' CZ3' ' N ' ' A' ' 12' ' ' GLY . 24.6 t-105 -90.99 104.52 17.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.529 ' CD2' ' HB3' ' A' ' 39' ' ' TYR . 26.3 m-85 -90.39 139.65 30.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.85 125.44 17.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.9 tp -91.79 134.35 34.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 76.2 m95 -102.35 153.23 20.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.427 ' CD2' HG22 ' A' ' 9' ' ' VAL . 2.8 mt -62.08 -33.82 75.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -53.11 -22.08 5.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.86 38.7 3.32 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 33.2 p -132.23 158.94 40.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 111.142 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.467 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 13.3 tp -127.1 118.31 24.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.91 137.33 9.54 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.482 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.529 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 34.2 p90 -120.86 117.15 26.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.897 0.38 . . . . 0.0 110.92 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.498 ' CE1' ' HB2' ' A' ' 45' ' ' ALA . 3.5 m-85 -98.76 173.66 6.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.538 ' CE1' ' OD2' ' A' ' 42' ' ' ASP . 0.5 OUTLIER -57.65 -40.78 80.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.543 ' HA ' ' CH2' ' A' ' 13' ' ' TRP . 21.1 p30 -144.11 178.5 7.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -44.7 -52.64 8.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.3 p -65.74 93.79 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.498 ' HB2' ' CE1' ' A' ' 40' ' ' TYR . . . -56.98 95.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -123.78 -43.69 2.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -101.2 84.42 2.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -58.38 93.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -66.51 -47.11 74.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -168.83 175.74 5.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 21.4 ttp180 -152.37 118.9 5.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.445 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 35.9 m -112.85 129.64 68.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 98.6 t -62.7 139.89 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.467 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 19.4 mm -107.35 -41.31 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.431 ' O ' ' C ' ' A' ' 56' ' ' PHE . 9.5 t60 -41.85 114.01 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 55' ' ' HIS . 63.6 m-85 35.69 43.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -121.64 15.64 11.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.8 t -106.96 119.61 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.8 ttt180 -85.47 -48.48 8.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -157.62 167.84 28.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 98.2 mt -149.68 111.19 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -103.43 144.02 31.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.4 t -136.9 131.93 47.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.11 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.83 -122.32 11.69 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.479 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 66' ' ' GLU . 25.0 mt-30 -57.57 -49.68 75.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.746 0.308 . . . . 0.0 110.927 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 65' ' ' GLN . 29.8 mt-10 -34.29 -45.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.7 t -74.58 128.91 36.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -117.29 166.64 12.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.42 ' C ' HG22 ' A' ' 70' ' ' VAL . 27.5 m-20 57.07 38.51 29.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.42 HG22 ' C ' ' A' ' 69' ' ' ASP . 78.6 t -148.49 123.25 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -103.9 132.45 21.01 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.596 0.712 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 147.24 62.12 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.323 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 179.77 3.5 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.683 2.256 . . . . 0.0 112.329 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -70.15 134.2 47.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.56 -64.54 1.85 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.529 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -58.08 172.1 0.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.346 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.2 m -119.62 164.91 15.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -57.23 -48.59 78.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.3 -31.08 2.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.26 -36.12 92.99 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.0 mp -39.02 146.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.5 tp -163.13 110.37 1.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.427 HG21 ' N ' ' A' ' 84' ' ' VAL . 85.0 m -118.06 137.5 52.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.427 ' N ' HG21 ' A' ' 83' ' ' THR . 58.6 t -116.52 133.11 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -99.28 137.32 37.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 89.5 mt -109.84 145.88 36.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 88' ' ' GLU . 14.1 mmm180 -57.8 -50.57 72.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 87' ' ' ARG . 9.5 pt-20 -36.79 -46.17 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 129.86 51.64 0.11 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.2 t -159.2 146.85 17.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.886 0.374 . . . . 0.0 110.795 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.3 ptt-85 -109.46 157.18 19.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.5 mt -117.42 106.0 12.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -78.21 120.94 23.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.425 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 27.8 mt -147.04 160.14 42.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 37.6 t -148.18 124.95 11.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.05 178.6 5.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -75.72 -35.72 60.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 77.5 p -146.4 175.85 10.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.445 ' HG3' ' N ' ' A' ' 100' ' ' ASP . 23.2 ptt180 -67.94 -42.41 81.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.445 ' N ' ' HG3' ' A' ' 99' ' ' ARG . 0.3 OUTLIER -47.93 -59.34 3.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.13 -42.31 76.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.33 -50.19 74.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 74.9 mt -52.44 -46.69 47.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -47.12 -49.45 22.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.04 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.439 ' NE1' HD13 ' A' ' 14' ' ' LEU . 33.5 m95 -61.9 -46.54 88.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.6 tttm -51.23 -43.47 61.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.935 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 88.4 m -73.09 -41.06 64.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.15 -32.16 72.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.057 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 37.5 mt -85.71 -44.53 12.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 12.6 mmt -62.82 -37.34 86.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -64.61 -64.61 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.07 -36.95 31.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.01 -37.36 78.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 59.8 p -111.87 32.81 5.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.411 ' HA ' ' HD2' ' A' ' 116' ' ' PRO . 98.9 m -151.79 105.01 2.86 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.571 0.7 . . . . 0.0 111.124 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 115' ' ' THR . 54.0 Cg_endo -69.73 178.58 4.41 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.373 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -167.66 143.02 3.22 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.606 0.717 . . . . 0.0 111.105 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 0.11 6.12 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.273 . . . . 0.0 112.362 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -68.91 162.09 27.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.133 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -169.72 -149.22 6.2 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.514 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -149.41 155.97 41.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.85 0.357 . . . . 0.0 111.077 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 5.0 t -105.46 -19.96 13.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.92 133.13 20.42 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.601 0.715 . . . . 0.0 111.123 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -176.26 1.44 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 20.6 t -159.27 132.95 7.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -112.27 166.88 12.24 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.488 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 131.57 21.53 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 2.258 . . . . 0.0 112.341 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 23.1 t -94.36 104.2 16.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 77.5 p 40.66 42.26 1.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.823 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.481 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -111.44 169.46 8.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.904 0.383 . . . . 0.0 110.86 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 t -56.52 -50.53 71.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.64 109.44 3.78 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.519 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.7 m -81.99 103.74 11.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.942 0.401 . . . . 0.0 110.812 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 m -111.6 100.85 9.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.28 -44.5 3.38 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.481 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.452 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 8.9 tp -96.46 144.74 26.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.895 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 91.6 t -100.21 -59.25 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -151.31 160.88 43.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -149.06 150.86 23.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.65 126.43 0.86 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 79.1 m95 -53.67 132.91 41.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.82 0.343 . . . . 0.0 110.907 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.5 mt -133.1 154.3 50.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -93.24 116.96 29.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.425 ' HB2' ' CD2' ' A' ' 94' ' ' LEU . 37.7 ttp85 -111.38 134.33 53.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -84.02 122.77 29.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.4 t -60.21 175.0 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.4 t -108.15 -39.38 5.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.826 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 38.1 pt -94.11 -21.31 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.146 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.4 tp -107.6 -16.47 14.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.7 mtt85 48.67 38.64 11.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -127.54 138.69 52.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -64.08 143.56 57.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.44 153.12 46.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -81.03 133.91 35.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -153.58 141.29 20.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.448 ' CZ3' ' HB3' ' A' ' 30' ' ' ALA . 49.3 t90 -96.48 101.69 13.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.465 ' CE1' HD21 ' A' ' 94' ' ' LEU . 44.7 m-85 -84.03 126.51 33.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.452 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . . . -127.89 125.14 39.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.106 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.0 tp -93.71 135.85 34.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -105.38 138.18 41.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.464 HD23 ' N ' ' A' ' 33' ' ' LEU . 3.0 mt -52.29 -24.61 7.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -61.68 -8.65 4.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.53 34.81 11.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.6 p -130.77 151.17 51.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.841 0.353 . . . . 0.0 111.173 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.454 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 10.2 tp -119.36 116.82 26.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.14 133.69 8.32 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.534 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -119.04 120.81 38.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.901 0.381 . . . . 0.0 110.933 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 3.5 m-85 -109.44 171.06 7.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -55.91 -52.24 64.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -129.09 173.29 10.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.444 ' HA ' ' CE3' ' A' ' 28' ' ' TRP . 24.8 mt-10 -53.26 -42.26 66.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.4 p -44.71 -37.74 3.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.42 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . . . 62.91 48.9 3.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -85.33 -36.64 20.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -105.72 107.12 17.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -75.2 115.27 14.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -83.3 -59.58 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -159.56 169.37 23.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -141.98 119.56 11.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.424 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 27.1 m -112.84 131.69 63.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 66.9 t -65.22 137.51 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.454 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 29.7 mm -105.74 -41.55 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -54.93 120.13 6.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 38.32 47.56 1.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -124.73 -36.44 2.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 88.4 t -70.26 115.87 10.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -80.32 -46.55 15.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -154.96 163.76 39.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.421 ' CG2' ' HG3' ' A' ' 106' ' ' LYS . 97.0 mt -147.41 136.56 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.449 ' HB3' ' CB ' ' A' ' 66' ' ' GLU . 40.9 mttp -125.23 140.54 52.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.6 t -135.11 129.45 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.67 -130.33 20.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.476 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -44.98 -47.66 11.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.767 0.318 . . . . 0.0 110.934 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.449 ' CB ' ' HB3' ' A' ' 62' ' ' LYS . 22.0 mt-10 -40.09 -50.86 2.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 90.7 m -51.87 138.94 23.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.85 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -134.78 151.25 50.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.948 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.425 ' C ' HG22 ' A' ' 70' ' ' VAL . 5.6 t70 63.19 33.72 14.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.425 HG22 ' C ' ' A' ' 69' ' ' ASP . 59.4 t -142.94 140.65 27.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -120.33 130.99 24.58 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.581 0.705 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.467 ' HB3' ' CD1' ' A' ' 81' ' ' LEU . 54.6 Cg_endo -69.72 145.51 57.57 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.683 2.255 . . . . 0.0 112.35 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 170.1 17.41 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.698 2.265 . . . . 0.0 112.343 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -60.29 130.17 45.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.66 -57.42 1.34 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.506 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.471 ' N ' ' HD2' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -51.11 -175.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 110.885 -179.894 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 62.5 m -125.29 169.45 12.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.1 mtt180 -72.29 -42.45 65.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.93 -33.21 72.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -55.7 -36.2 64.63 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 72' ' ' PRO . 4.4 mp -38.79 142.84 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.823 0.344 . . . . 0.0 110.917 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.2 tp -152.39 116.07 4.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.2 m -118.12 123.17 44.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.445 HG13 ' N ' ' A' ' 85' ' ' ASN . 57.7 t -106.35 142.55 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.134 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.445 ' N ' HG13 ' A' ' 84' ' ' VAL . 2.8 m-80 -112.92 130.23 56.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.5 mt -98.32 160.46 14.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -87.37 -18.36 30.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 89' ' ' GLY . 0.5 OUTLIER -68.99 -44.96 71.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.899 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.448 ' N ' ' OE1' ' A' ' 88' ' ' GLU . . . 139.01 57.48 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.442 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -172.66 163.55 5.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.884 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.9 ptp85 -128.01 161.19 29.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.9 mt -120.99 123.75 43.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -99.35 109.72 22.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.465 HD21 ' CE1' ' A' ' 29' ' ' PHE . 32.7 mt -132.16 172.02 12.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 52.8 t -150.31 126.25 10.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -95.83 153.65 17.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.099 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -47.4 -55.94 7.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 68.5 p -132.32 173.99 10.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 -61.08 -39.97 91.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -54.69 -55.43 29.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.59 -46.14 89.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.8 -53.19 58.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.085 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 19.1 mt -52.13 -45.86 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.158 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -46.2 -61.93 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 38.6 m95 -51.7 -43.49 62.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.421 ' HG3' ' CG2' ' A' ' 61' ' ' ILE . 15.5 tttt -54.28 -46.01 72.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 53.0 m -72.43 -42.18 65.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.145 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.64 -32.92 72.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 60.7 mt -81.07 -51.17 8.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 6.6 mmt -54.4 -43.56 71.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -61.39 -66.97 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.23 -36.74 21.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.154 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -62.51 -40.38 96.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 65.8 m -115.52 49.42 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.84 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 98.4 m -166.79 112.05 0.68 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.602 0.715 . . . . 0.0 111.15 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -170.96 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.703 2.269 . . . . 0.0 112.346 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -167.84 165.2 8.4 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.532 0.682 . . . . 0.0 111.092 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 1.12 4.73 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.7 2.267 . . . . 0.0 112.369 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -42.36 -65.78 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 54.59 89.56 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.462 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -159.32 175.91 12.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.833 0.349 . . . . 0.0 111.089 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 68.6 m -148.93 133.49 17.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.469 ' CG2' ' HD2' ' A' ' 124' ' ' PRO . 12.0 p -171.19 136.61 1.05 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.623 0.725 . . . . 0.0 111.09 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 123' ' ' VAL . 53.8 Cg_endo -69.75 136.14 32.26 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.646 2.23 . . . . 0.0 112.37 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 64.8 p -107.0 89.13 2.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 44.93 83.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.453 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -1.09 7.86 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.696 2.264 . . . . 0.0 112.364 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 25.1 t -46.51 -62.31 1.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 21.6 t -88.11 94.51 9.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.832 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.461 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.6 t -70.3 154.47 41.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.876 0.369 . . . . 0.0 110.862 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.3 p -66.31 115.67 6.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.49 98.17 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.506 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.3 m -160.54 121.58 2.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.371 . . . . 0.0 110.883 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 t -127.87 109.44 11.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.41 -48.15 3.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 24.4 tp -96.71 138.34 34.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.883 0.373 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.3 t -93.91 -59.5 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.101 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -158.95 147.54 18.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -120.13 -158.62 10.6 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 126.69 160.93 10.74 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.519 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 33.3 m95 -97.49 141.38 30.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 mt -143.32 143.84 31.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.962 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.434 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 75.7 m95 -74.12 118.13 16.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.7 ttp85 -108.99 134.22 51.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -87.52 130.88 34.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.931 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.482 ' HG ' ' N ' ' A' ' 22' ' ' ARG . 4.1 p -67.37 -175.47 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 m -115.54 -17.67 11.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.2 tt -122.87 -33.47 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.167 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 22' ' ' ARG . 4.0 tp -85.87 -4.41 59.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.482 ' N ' ' HG ' ' A' ' 18' ' ' SER . 56.8 mtt85 37.07 38.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.0 mtt-85 -132.5 149.0 52.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.597 ' CH2' ' SG ' ' A' ' 95' ' ' CYS . 92.3 m95 -74.77 147.41 41.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -142.47 138.23 30.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.434 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 21.2 mtp180 -71.07 137.76 49.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.822 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -149.63 176.27 10.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.51 ' CG ' ' HA ' ' A' ' 43' ' ' GLU . 73.0 t90 -127.18 106.2 9.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.966 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.478 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 11.2 m-85 -94.31 149.2 21.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -150.29 127.63 11.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 51.8 tp -92.14 136.99 32.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -109.23 147.96 31.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.0 mt -58.36 -24.33 59.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -67.41 -5.98 17.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.27 47.6 8.12 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.454 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.4 p -139.99 130.97 26.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 111.139 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.46 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 10.9 tp -99.19 107.55 19.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.57 128.63 7.54 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.462 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 50' ' ' ASP . 11.2 p90 -114.9 142.1 47.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.884 0.373 . . . . 0.0 110.939 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.485 ' CD2' ' HA ' ' A' ' 48' ' ' GLU . 3.2 m-85 -124.6 155.7 38.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 62.1 m-70 -45.14 -59.68 2.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -100.83 -176.49 3.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.51 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 8.0 pt-20 -84.31 15.18 3.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.4 p -124.03 125.63 44.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.59 87.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -133.45 -46.49 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -113.74 86.04 2.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.485 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . 23.9 tt0 -56.85 123.21 14.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -94.61 -52.63 4.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 2.9 m-20 -165.83 171.31 12.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -155.35 128.41 8.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.7 m -120.72 141.81 39.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 92.9 t -66.32 137.35 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.46 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 27.7 mm -107.81 -42.51 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 56' ' ' PHE . 6.5 t-160 -51.66 121.63 6.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.877 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 55' ' ' HIS . 57.9 m-85 36.14 48.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -125.64 -29.93 3.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 40.8 t -69.41 112.81 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.4 ttt85 -80.2 -38.87 30.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -165.52 166.45 18.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.9 mt -147.69 120.02 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -103.36 152.59 21.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 29.9 t -149.12 135.89 12.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.89 -144.65 40.27 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 66' ' ' GLU . 37.5 tp60 -42.32 -38.91 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.782 0.325 . . . . 0.0 110.918 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 65' ' ' GLN . 12.4 mt-10 -34.25 -36.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 65' ' ' GLN . 16.0 p -41.04 158.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -114.41 -70.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.965 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -118.41 9.07 12.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.1 t -75.34 121.29 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -95.55 127.61 41.12 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.576 0.703 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 145.01 56.02 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.732 2.288 . . . . 0.0 112.362 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.469 ' HG2' ' CG ' ' A' ' 76' ' ' ARG . 54.2 Cg_endo -69.72 153.72 68.77 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.707 2.272 . . . . 0.0 112.333 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -61.77 127.73 32.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.69 -48.28 1.03 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.526 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.469 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 7.5 mmt180 -68.92 -173.0 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.815 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.436 ' OG ' ' N ' ' A' ' 78' ' ' ARG . 1.5 t -118.6 174.78 6.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.436 ' N ' ' OG ' ' A' ' 77' ' ' SER . 38.8 mtm180 -85.24 -9.66 57.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -83.33 -14.15 53.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -87.06 -14.17 64.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.4 mp -55.91 124.97 19.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.837 0.351 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.3 tp -137.87 122.25 18.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.9 m -120.72 134.52 55.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.104 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.418 HG11 ' N ' ' A' ' 85' ' ' ASN . 48.1 t -118.53 138.61 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.418 ' N ' HG11 ' A' ' 84' ' ' VAL . 2.7 m-80 -107.76 134.66 50.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.3 mt -111.81 150.79 29.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.963 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -66.05 -32.9 74.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -58.11 -16.49 13.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.91 67.54 1.05 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.4 t -174.64 127.4 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.827 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.0 ptt-85 -93.63 153.01 18.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 mt -110.86 127.66 55.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -97.41 99.71 11.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.478 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 29.7 mt -128.43 161.17 30.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.963 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.597 ' SG ' ' CH2' ' A' ' 24' ' ' TRP . 11.8 m -144.57 145.18 31.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -113.32 171.85 7.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -72.03 -49.56 35.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 80.9 p -130.77 167.96 18.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.154 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -56.28 -43.15 78.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.59 -63.67 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.19 -48.68 34.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.03 -50.37 66.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 66.9 mt -62.45 -47.18 94.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -46.83 -49.27 20.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -61.37 -45.28 95.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -52.6 -39.23 61.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 67.6 m -72.89 -37.99 67.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.85 -27.08 63.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 20.6 mt -88.63 -45.42 9.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 11.0 mmt -63.14 -30.34 71.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -75.47 -64.17 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -51.72 -31.74 27.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.089 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.71 -40.24 80.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.2 t -115.13 44.72 1.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 98.4 m -163.36 106.6 0.98 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.584 0.707 . . . . 0.0 111.118 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 177.65 5.34 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.74 2.293 . . . . 0.0 112.349 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -118.37 156.47 50.91 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.599 0.714 . . . . 0.0 111.088 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -21.61 32.94 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.707 2.271 . . . . 0.0 112.307 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.52 141.0 28.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -145.7 86.32 0.17 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -135.06 175.19 9.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.857 0.361 . . . . 0.0 111.073 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 36.1 m -95.4 128.85 42.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.148 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.96 141.67 94.67 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.59 0.71 . . . . 0.0 111.134 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 125' ' ' SER . 54.1 Cg_endo -69.78 1.33 4.55 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.716 2.277 . . . . 0.0 112.314 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 124' ' ' PRO . 12.1 t -34.54 -42.02 0.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 58.86 -156.53 23.63 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 90.7 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.655 2.237 . . . . 0.0 112.375 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 46.8 t -159.52 161.9 35.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.8 t -152.17 144.5 24.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.492 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -63.35 163.7 10.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.857 0.361 . . . . 0.0 110.848 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 m -112.35 -52.31 2.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.4 -107.59 3.29 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.52 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -71.17 154.04 42.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.848 0.356 . . . . 0.0 110.872 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 m -89.42 117.6 28.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' CA ' ' HG ' ' A' ' 33' ' ' LEU . . . 123.94 -53.09 0.76 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.535 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.1 tp -100.18 149.85 23.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.339 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 82.6 t -110.64 -58.1 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.5 ttt85 -152.95 161.55 42.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -150.35 -175.81 22.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.452 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 144.32 176.51 18.4 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -101.6 135.33 43.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.769 0.318 . . . . 0.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.436 HD11 ' NE1' ' A' ' 105' ' ' TRP . 9.9 mt -139.22 148.32 42.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.56 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 86.3 m95 -82.22 120.29 25.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.0 ttp85 -108.47 140.18 42.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -104.83 152.88 22.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.4 t -104.91 174.06 6.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.836 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.3 m -91.62 -36.27 13.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.1 mp -99.66 -44.21 11.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.097 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 23' ' ' ARG . 4.7 tp -76.13 -19.97 58.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.5 mmm-85 38.74 26.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 21' ' ' LEU . 42.8 mtp180 -112.41 144.36 41.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.446 ' CE2' ' HD3' ' A' ' 73' ' ' PRO . 95.8 m95 -77.59 145.49 36.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.31 140.22 30.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.56 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 37.8 mtm180 -74.36 132.44 42.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -149.43 150.75 32.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 24.2 t-105 -100.72 119.38 38.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.537 ' CZ ' HD23 ' A' ' 94' ' ' LEU . 18.1 m-85 -105.35 149.02 26.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.94 126.65 9.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.5 tp -92.8 133.73 35.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -102.35 146.31 28.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.955 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.404 ' HG ' ' CA ' ' A' ' 7' ' ' GLY . 3.0 mt -54.72 -29.46 53.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.37 -15.49 10.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.79 38.13 5.89 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.442 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.2 p -131.69 161.6 32.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 111.125 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.448 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 13.4 tp -123.15 111.33 16.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.08 116.34 2.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -105.05 136.58 44.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.846 0.355 . . . . 0.0 110.91 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.547 ' CE2' ' HB3' ' A' ' 45' ' ' ALA . 1.0 OUTLIER -116.64 175.62 5.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.21 -49.42 69.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -146.74 -175.45 4.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -41.03 -39.64 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.9 p -68.63 102.45 1.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.547 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . . . -78.48 49.6 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -106.28 -25.98 11.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 48' ' ' GLU . 9.0 m-20 -101.3 46.05 0.95 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 47' ' ' ASP . 40.0 tt0 -34.44 113.5 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.8 -54.08 6.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -165.63 -179.44 5.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -156.08 128.54 7.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.6 m -126.08 130.27 72.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.417 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 60.9 t -58.02 137.47 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.448 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 14.8 mm -107.88 -42.62 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 56' ' ' PHE . 6.5 t-160 -50.93 122.74 7.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' HIS . 86.5 m-85 37.18 35.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 53' ' ' VAL . 11.4 t30 -111.61 -31.33 7.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.3 t -68.42 107.71 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.9 ttt-85 -79.72 -39.82 30.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -158.21 167.43 29.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 59.6 mt -150.86 115.66 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -103.38 139.97 38.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 54.3 t -139.92 130.68 31.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.87 -136.82 33.39 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -40.12 -40.78 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.759 0.314 . . . . 0.0 110.9 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -38.68 -54.13 1.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.2 m -48.41 151.75 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -145.17 137.85 26.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 62.53 46.3 5.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.457 ' CG1' HD22 ' A' ' 81' ' ' LEU . 11.8 p -141.15 134.98 31.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.093 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.473 ' NE2' ' HD2' ' A' ' 72' ' ' PRO . 69.8 tp60 -102.25 122.57 46.27 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.614 0.721 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.473 ' HD2' ' NE2' ' A' ' 71' ' ' GLN . 54.1 Cg_endo -69.73 153.16 69.38 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.72 2.28 . . . . 0.0 112.341 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.446 ' HD3' ' CE2' ' A' ' 24' ' ' TRP . 54.1 Cg_endo -69.67 144.63 55.14 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.698 2.265 . . . . 0.0 112.364 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -54.33 136.08 43.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.72 -58.51 1.85 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.478 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.447 ' NE ' ' N ' ' A' ' 76' ' ' ARG . 3.9 mmp_? -55.03 -173.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 110.857 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 p -125.02 167.41 14.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -75.83 -14.71 60.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.841 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.38 10.24 5.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -107.54 -25.32 6.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.457 HD22 ' CG1' ' A' ' 70' ' ' VAL . 4.3 mp -42.77 131.51 4.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.363 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.1 tp -152.84 121.91 6.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 98.3 m -125.91 135.18 51.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 90.2 t -114.48 127.92 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -94.3 128.33 40.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.3 mt -104.23 149.01 25.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 88' ' ' GLU . 27.5 mtt180 -64.56 -48.04 76.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 89' ' ' GLY . 11.7 pt-20 -38.08 -42.9 0.69 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.415 ' N ' ' HG3' ' A' ' 88' ' ' GLU . . . 124.12 53.38 0.19 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.469 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.5 m -162.92 127.05 2.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 0.0 110.857 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.3 ptt-85 -89.93 152.24 21.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.6 mt -115.56 102.08 9.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -78.44 105.01 9.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.537 HD23 ' CZ ' ' A' ' 29' ' ' PHE . 58.5 mt -127.59 167.88 15.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 27.2 t -151.7 139.02 19.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -103.79 175.4 5.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -79.77 -45.81 18.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 67.4 p -131.81 165.53 23.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -55.85 -43.89 77.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.87 -65.17 0.61 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -48.73 -50.79 32.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.3 -57.31 9.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.096 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 20.0 mt -54.76 -46.48 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.177 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -46.69 -53.78 10.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.057 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.436 ' NE1' HD11 ' A' ' 14' ' ' LEU . 32.8 m95 -58.78 -44.68 90.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -53.45 -50.09 66.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.907 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 31.9 m -66.58 -44.17 82.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.73 -28.55 69.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 40.1 mt -84.88 -52.17 6.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 14.3 mmt -53.13 -31.29 41.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -74.7 -70.06 0.43 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.26 -26.82 3.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -71.76 -40.58 69.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 50.6 m -120.16 44.7 2.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.406 ' HA ' ' HD2' ' A' ' 116' ' ' PRO . 17.1 m -151.93 104.99 2.83 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.612 0.72 . . . . 0.0 111.141 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 115' ' ' THR . 53.6 Cg_endo -69.75 165.67 30.17 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.671 2.247 . . . . 0.0 112.316 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -139.35 163.59 44.59 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 0.0 111.11 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -24.73 29.37 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.702 2.268 . . . . 0.0 112.297 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.56 153.61 35.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -178.74 74.41 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -89.04 172.65 8.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 111.064 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 86.6 m -80.16 110.41 15.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 30.8 m -152.26 143.58 15.93 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.585 0.707 . . . . 0.0 111.105 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 95.62 0.56 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.7 2.267 . . . . 0.0 112.352 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.1 t -71.77 -175.82 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -148.36 70.26 0.33 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.515 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 163.89 36.55 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.664 2.242 . . . . 0.0 112.351 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 55.7 m -153.38 150.47 28.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.0 t -51.34 128.24 21.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 -179.957 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 m -139.45 164.33 30.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.351 . . . . 0.0 110.902 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.0 p -60.88 -24.71 66.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.73 100.87 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -153.84 139.97 18.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.369 . . . . 0.0 110.844 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -107.12 137.29 45.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.06 129.54 1.12 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.431 ' HG ' ' N ' ' A' ' 9' ' ' VAL . 12.5 tp -104.88 155.71 18.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.859 0.361 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.431 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 44.2 t -114.73 -57.44 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.2 ttt-85 -149.68 152.84 36.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.83 88.83 0.15 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.514 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -127.25 148.77 17.57 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 54.6 m95 -70.8 151.99 44.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.752 0.31 . . . . 0.0 110.952 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.444 HD13 ' CD1' ' A' ' 105' ' ' TRP . 70.8 mt -153.5 137.41 16.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.518 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 98.1 m95 -77.9 120.99 23.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.5 ttp85 -111.22 138.7 47.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -93.54 132.44 37.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.2 m -91.68 -175.85 4.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.0 t -101.29 -62.1 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.0 mp -71.0 -45.25 73.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.091 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 22' ' ' ARG . 10.5 mt -75.17 -16.44 60.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER 34.32 39.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.41 ' HG2' ' N ' ' A' ' 24' ' ' TRP . 35.7 ttt180 -133.15 151.09 51.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.425 ' CE2' ' HD3' ' A' ' 73' ' ' PRO . 92.6 m95 -78.26 132.57 37.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -128.96 145.57 51.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.518 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 15.3 mtm105 -74.68 139.85 43.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -150.87 138.3 19.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 28.5 t90 -94.86 99.58 11.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.434 ' CD2' ' HB3' ' A' ' 39' ' ' TYR . 51.5 m-85 -90.19 134.16 34.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.86 130.13 33.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.7 tp -96.58 134.16 40.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -104.15 152.66 21.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.409 ' N ' HD21 ' A' ' 33' ' ' LEU . 3.2 mt -59.01 -32.75 69.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -56.7 -21.54 28.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.44 39.15 3.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.452 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.8 p -128.34 155.42 44.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.778 0.323 . . . . 0.0 111.169 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.439 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 10.3 tp -121.54 111.18 16.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.09 132.51 9.41 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 50' ' ' ASP . 20.5 p90 -117.29 130.17 56.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.888 0.375 . . . . 0.0 110.922 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.52 ' CD2' ' HA ' ' A' ' 45' ' ' ALA . 2.7 m-85 -115.76 177.08 4.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -70.17 -63.26 1.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 44' ' ' THR . 17.5 t70 -126.71 176.93 6.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.23 -28.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 42' ' ' ASP . 63.2 p -73.97 106.93 5.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.136 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.52 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . . . -85.62 47.15 1.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -103.44 -14.69 16.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -114.56 66.4 0.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -54.54 107.44 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -75.68 -43.14 48.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 4.5 t70 -169.33 172.11 7.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.84 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -154.52 118.43 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.41 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 27.4 m -109.45 166.02 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.3 t -90.67 136.7 23.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.439 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 15.0 mm -108.19 -38.96 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.147 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -57.97 119.37 6.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.432 ' CE1' ' HA ' ' A' ' 114' ' ' SER . 61.7 m-85 38.23 45.59 0.79 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.416 ' HA ' ' CD ' ' A' ' 87' ' ' ARG . 6.8 t30 -121.73 -32.12 3.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 87.7 t -72.26 123.04 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.132 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -85.52 -42.71 14.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -165.37 155.8 13.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 77.6 mt -137.69 134.52 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.411 ' C ' HG21 ' A' ' 63' ' ' VAL . 18.8 mmmt -120.59 161.6 21.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.411 HG21 ' C ' ' A' ' 62' ' ' LYS . 80.7 t -145.01 134.57 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.91 -131.67 36.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 66' ' ' GLU . 13.6 pt20 -41.56 -54.0 3.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.747 0.308 . . . . 0.0 110.915 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.425 ' N ' ' HG3' ' A' ' 65' ' ' GLN . 4.4 mm-40 -38.92 -50.13 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.0 t -63.71 163.27 11.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -54.28 -175.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -80.52 45.34 0.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.9 t -65.82 139.64 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -85.08 113.25 49.04 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.657 0.742 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 149.75 67.13 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.425 ' HD3' ' CE2' ' A' ' 24' ' ' TRP . 53.7 Cg_endo -69.78 155.26 66.33 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.637 2.225 . . . . 0.0 112.33 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -53.32 146.81 11.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.31 -48.65 4.09 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.449 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.44 ' N ' ' HD2' ' A' ' 76' ' ' ARG . 0.7 OUTLIER -71.32 -175.54 1.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.816 0.341 . . . . 0.0 110.908 -179.871 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.3 m -133.94 157.84 44.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -49.27 -51.62 32.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -44.27 -34.07 1.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -58.84 -37.88 91.35 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.488 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 80' ' ' GLY . 4.2 mp -35.08 143.65 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.784 0.326 . . . . 0.0 110.97 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.0 tp -163.03 111.25 1.27 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.0 m -118.24 145.34 45.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 97.7 t -124.57 129.01 73.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -93.45 143.12 26.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 57.5 mt -112.36 151.39 29.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.416 ' CD ' ' HA ' ' A' ' 57' ' ' ASN . 15.5 ptm180 -73.1 -27.69 61.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.15 -32.63 74.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 120.57 61.03 0.24 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.458 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.4 m -170.56 151.25 3.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.368 . . . . 0.0 110.856 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -116.22 153.19 32.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.2 mt -111.97 105.66 14.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -79.26 112.15 16.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.2 mt -137.93 167.61 21.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 32.6 t -150.27 136.56 18.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -105.82 155.37 19.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.053 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -55.93 -47.13 78.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 71.2 p -129.48 177.93 6.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.133 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -73.97 -26.12 60.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -67.12 -57.43 6.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.81 -35.22 66.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.66 -54.66 42.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 40.6 mt -53.21 -45.32 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -44.32 -50.66 8.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.444 ' CD1' HD13 ' A' ' 14' ' ' LEU . 47.3 m95 -64.99 -40.64 95.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.4 tttm -58.99 -46.37 88.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 87.3 m -72.35 -44.36 62.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.15 -28.37 69.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 41.9 mt -86.61 -55.94 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 7.2 mmt -48.26 -42.05 29.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -63.91 -65.94 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.5 -35.34 8.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.98 -37.73 88.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.432 ' HA ' ' CE1' ' A' ' 56' ' ' PHE . 1.3 t -118.33 37.71 3.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 36.5 m -153.92 105.03 2.47 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.546 0.689 . . . . 0.0 111.164 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 171.5 14.34 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.717 2.278 . . . . 0.0 112.339 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -113.67 149.31 41.5 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.573 0.701 . . . . 0.0 111.119 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -44.11 2.29 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.376 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . 62.91 44.37 6.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -126.43 60.31 0.65 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.454 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -59.46 100.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.348 . . . . 0.0 111.163 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 14.6 t -83.79 40.25 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.464 ' CG1' ' HD2' ' A' ' 124' ' ' PRO . 94.7 t -136.77 138.86 27.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.646 0.736 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.464 ' HD2' ' CG1' ' A' ' 123' ' ' VAL . 53.6 Cg_endo -69.8 95.62 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.643 2.229 . . . . 0.0 112.33 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 28.2 t -59.74 -57.59 12.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 136.63 140.13 4.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 128' ' ' SER . 53.7 Cg_endo -69.82 -21.04 33.79 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 127' ' ' PRO . 17.5 m -35.75 143.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 130' ' ' GLY . 6.1 m -76.56 123.19 25.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.802 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 129' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.533 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 t -151.54 169.33 22.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.92 0.39 . . . . 0.0 110.833 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -151.63 133.39 14.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.9 131.07 5.44 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -113.63 -67.54 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.911 0.386 . . . . 0.0 110.874 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t 66.2 35.0 6.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.834 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.446 ' CA ' ' HG ' ' A' ' 33' ' ' LEU . . . -154.72 -49.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.48 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.5 tp -84.41 155.01 22.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.367 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.438 ' CG2' HD23 ' A' ' 33' ' ' LEU . 46.8 t -127.55 -53.76 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.104 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -162.05 158.75 25.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -135.43 -139.03 3.96 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.09 174.72 24.42 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.456 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 47.0 m95 -109.71 144.04 38.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.804 0.335 . . . . 0.0 110.896 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.405 HD13 ' NE1' ' A' ' 105' ' ' TRP . 70.1 mt -143.65 139.69 29.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.537 ' CH2' ' HD2' ' A' ' 26' ' ' ARG . 94.4 m95 -77.86 124.07 27.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.404 ' NH2' ' HD3' ' A' ' 25' ' ' LYS . 30.2 ttp85 -118.72 140.32 50.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -72.94 166.17 23.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 t -128.1 164.1 23.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.2 p -115.62 -4.22 12.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.463 ' CD1' ' O ' ' A' ' 20' ' ' ILE . 0.0 OUTLIER -119.96 -27.89 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.146 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.453 ' N ' HG22 ' A' ' 20' ' ' ILE . 10.6 tp -103.91 -14.1 16.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 49.08 48.93 20.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -164.48 137.83 5.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.479 ' CD1' ' HB3' ' A' ' 73' ' ' PRO . 70.8 m95 -52.77 151.54 4.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.404 ' HD3' ' NH2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -138.99 145.5 39.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.537 ' HD2' ' CH2' ' A' ' 15' ' ' TRP . 24.5 mtp85 -79.14 121.31 24.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -132.1 166.86 20.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.437 ' CH2' ' HB2' ' A' ' 30' ' ' ALA . 79.1 t90 -119.77 105.11 10.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.469 ' CD2' ' HB3' ' A' ' 39' ' ' TYR . 47.4 m-85 -90.78 146.55 23.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.437 ' HB2' ' CH2' ' A' ' 28' ' ' TRP . . . -146.47 129.77 16.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.054 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.3 tp -98.25 133.5 42.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -107.04 153.93 21.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.446 ' HG ' ' CA ' ' A' ' 7' ' ' GLY . 3.1 mt -59.75 -33.25 71.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -56.28 -15.65 4.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.46 39.16 6.03 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.468 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.6 p -127.54 149.87 49.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.802 0.334 . . . . 0.0 111.159 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.449 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 9.4 tp -118.21 113.17 21.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.04 139.03 14.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.471 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.469 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 11.8 p90 -121.56 115.38 22.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.881 0.372 . . . . 0.0 110.98 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.553 ' CD2' ' HA ' ' A' ' 45' ' ' ALA . 12.9 m-85 -101.48 164.84 11.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.498 ' CE1' ' OD1' ' A' ' 42' ' ' ASP . 0.5 OUTLIER -61.71 -54.68 39.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.498 ' OD1' ' CE1' ' A' ' 41' ' ' HIS . 97.0 m-20 -129.66 -179.26 5.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -47.87 -31.11 4.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.1 p -75.05 109.98 8.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.553 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . . . -81.34 47.83 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -104.25 -22.12 13.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 48' ' ' GLU . 1.1 m-20 -105.88 42.46 1.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 47' ' ' ASP . 9.6 tt0 -35.44 123.29 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -90.51 -43.95 9.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 4.2 m-20 -169.53 179.09 3.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.834 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -155.24 117.86 4.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 25.3 m -109.13 161.48 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 63.8 t -89.49 138.45 19.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.449 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 30.8 mm -107.57 -39.66 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -55.94 119.18 5.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 39.36 47.16 1.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -128.13 -31.51 2.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 71.9 t -69.18 100.4 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.8 ttt-85 -64.4 -48.61 74.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -154.71 169.7 23.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 106' ' ' LYS . 61.4 mt -145.54 125.72 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.2 mttm -111.55 135.26 52.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 62.3 t -137.83 131.04 42.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.149 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.3 -133.17 42.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.49 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.412 ' NE2' ' HG2' ' A' ' 66' ' ' GLU . 2.1 pp0? -39.82 -48.39 2.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.767 0.317 . . . . 0.0 110.938 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.412 ' HG2' ' NE2' ' A' ' 65' ' ' GLN . 4.0 mm-40 -37.73 -52.15 1.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 81.4 m -74.67 124.03 25.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 69' ' ' ASP . 25.6 mt-30 -119.83 -67.54 0.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -35.18 -51.22 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.3 p -70.08 140.5 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -116.09 141.95 28.49 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.624 0.726 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 141.02 44.22 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.688 2.259 . . . . 0.0 112.352 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.479 ' HB3' ' CD1' ' A' ' 24' ' ' TRP . 53.7 Cg_endo -69.79 -168.61 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.634 2.223 . . . . 0.0 112.333 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -75.71 105.17 6.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 119.32 -53.61 0.67 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.533 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.477 ' N ' ' HD2' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -51.05 -176.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.817 0.341 . . . . 0.0 110.915 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.5 m -142.22 158.62 43.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.829 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 39.9 mtm180 -64.17 -14.01 52.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.11 20.5 4.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -128.3 -32.37 0.63 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 80' ' ' GLY . 4.4 mp -34.38 149.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.813 0.34 . . . . 0.0 110.966 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.0 tp -161.44 112.23 1.7 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.9 m -119.63 135.78 54.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 94.7 t -114.37 130.57 68.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -97.66 146.34 25.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 26.1 mt -119.02 154.3 33.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -77.59 -36.2 52.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.36 -23.54 3.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 112.12 56.13 0.46 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.5 m -171.85 156.22 4.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 0.0 110.826 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.515 ' HG3' ' CE1' ' A' ' 93' ' ' HIS . 10.6 ptm180 -122.15 172.43 8.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.5 mt -132.54 106.56 7.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.515 ' CE1' ' HG3' ' A' ' 91' ' ' ARG . 29.9 m80 -81.05 109.73 15.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 36.5 mt -130.13 170.24 14.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 40.3 t -149.56 138.33 21.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -107.65 160.3 15.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.084 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -71.3 -37.74 71.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 31.8 p -133.42 148.89 51.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -48.52 -40.09 25.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.56 -56.31 16.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -50.94 -44.06 60.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.96 -45.12 93.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.074 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 79.6 mt -61.31 -38.3 79.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.59 -40.99 76.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.104 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.405 ' NE1' HD13 ' A' ' 14' ' ' LEU . 49.1 m95 -68.73 -39.06 80.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.472 ' HD2' ' CG2' ' A' ' 61' ' ' ILE . 16.8 tptm -55.05 -40.3 70.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 94.2 m -83.27 -46.35 12.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.092 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.61 -26.76 67.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 42.9 mt -91.27 -50.77 5.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 5.5 mmt -57.23 -33.15 67.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -70.8 -66.52 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -48.18 -38.21 17.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -62.1 -30.82 71.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.3 m -123.71 43.24 3.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 81.5 m -161.05 105.06 1.25 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.573 0.701 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 166.68 26.74 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.716 2.277 . . . . 0.0 112.343 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -116.93 83.48 14.66 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.643 0.735 . . . . 0.0 111.12 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -39.78 6.12 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.688 2.259 . . . . 0.0 112.365 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -165.85 155.72 12.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -91.33 119.2 5.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.528 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -103.04 106.76 17.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.862 0.363 . . . . 0.0 111.131 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.2 p -97.67 158.82 15.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 86.2 t -134.86 99.63 12.47 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.593 0.711 . . . . 0.0 111.147 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -47.56 0.9 Allowed 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.698 2.265 . . . . 0.0 112.37 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 31.4 t -73.96 127.44 32.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -147.57 -159.2 8.25 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 138.59 38.08 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.68 2.253 . . . . 0.0 112.304 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 10.2 t -65.16 147.34 53.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 27.5 m -108.91 -44.68 3.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.505 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 m -100.89 144.26 30.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.916 0.389 . . . . 0.0 110.855 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 t -89.85 141.14 28.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.98 -80.22 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.518 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.8 p 39.29 36.57 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 110.846 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.9 m -105.04 -50.81 3.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.49 -46.97 1.04 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.0 tp -104.33 143.51 32.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.904 0.383 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.8 t -103.2 -57.53 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 47.5 ttt85 -140.8 155.13 46.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -149.45 82.47 0.18 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.454 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -123.52 159.99 18.1 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.41 ' CZ3' ' HB3' ' A' ' 26' ' ' ARG . 52.8 m95 -85.91 133.44 33.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.787 0.327 . . . . 0.0 110.939 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.411 HD11 ' NE1' ' A' ' 105' ' ' TRP . 21.5 mt -136.88 145.08 43.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.56 ' CZ3' ' HG3' ' A' ' 26' ' ' ARG . 99.0 m95 -82.09 124.02 29.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.5 ttp85 -110.9 153.17 25.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -109.46 140.48 43.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.8 t -92.39 -175.25 3.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.6 p -125.24 -10.89 7.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.401 ' CD1' ' N ' ' A' ' 20' ' ' ILE . 2.2 mp -102.67 -38.43 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.11 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.6 mt -101.92 -20.38 14.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 58.99 27.87 16.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 mtp-105 -117.67 150.39 39.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -76.39 161.43 28.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.403 ' C ' ' HD3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -157.72 159.69 37.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.56 ' HG3' ' CZ3' ' A' ' 15' ' ' TRP . 31.4 mtp180 -90.76 140.14 30.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.524 HD21 ' N ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -154.36 148.96 26.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.524 ' N ' HD21 ' A' ' 27' ' ' ASN . 28.3 t90 -97.84 106.04 18.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.941 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.457 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 38.3 m-85 -94.27 127.23 40.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.77 144.5 51.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.091 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 26.1 tp -109.49 136.62 48.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -107.46 146.15 32.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mt -60.12 -29.66 68.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.61 -16.01 3.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.42 40.88 4.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.473 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.3 p -135.21 153.5 51.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 111.134 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.455 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . 12.2 tp -123.78 111.05 15.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.05 139.53 12.4 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.402 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 16.9 p90 -117.76 138.33 52.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.935 0.398 . . . . 0.0 110.899 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.48 ' CE2' ' HB3' ' A' ' 45' ' ' ALA . 7.0 m-85 -131.0 148.27 52.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 40' ' ' TYR . 62.8 m-70 -34.45 -66.03 0.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -123.1 179.71 4.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.46 ' HA ' ' CE3' ' A' ' 28' ' ' TRP . 15.1 pt-20 -45.47 -28.58 0.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.2 p -78.67 115.14 18.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.48 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . . . -81.53 54.41 2.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.107 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -93.71 -36.45 12.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -106.7 76.59 1.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -59.93 111.84 1.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -80.73 -46.45 15.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -169.61 173.52 6.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.453 ' CZ ' ' HB3' ' A' ' 51' ' ' ARG . 17.2 ttp-105 -153.75 117.57 4.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.455 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 34.1 m -107.5 170.39 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 44.4 t -95.5 141.02 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.448 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 5.5 mm -110.32 -39.65 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.443 ' CD2' ' C ' ' A' ' 55' ' ' HIS . 3.1 t60 -55.76 119.97 6.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.441 ' HB2' ' CD2' ' A' ' 55' ' ' HIS . 15.4 m-85 35.88 45.32 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -125.61 -12.64 6.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.7 t -85.65 96.83 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -64.85 -44.63 89.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -163.46 166.24 22.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.8 mt -144.56 120.6 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -106.79 143.21 35.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 46.1 t -141.48 133.27 28.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.71 -138.6 37.97 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.521 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -38.71 -39.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.776 0.322 . . . . 0.0 110.95 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -40.4 -53.93 2.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 m -72.86 -66.57 0.65 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 37.9 tp60 42.8 33.61 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -124.36 -30.28 3.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.4 t -92.89 148.16 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.138 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -88.71 118.82 69.74 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.571 0.7 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 135.96 31.7 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -178.31 2.26 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.42 ' C ' ' CD ' ' A' ' 74' ' ' GLU . 6.2 tm-20 -74.75 131.14 40.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 76' ' ' ARG . . . 98.38 -61.37 0.89 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.522 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.479 ' N ' ' HD2' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -51.36 -175.13 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 -179.873 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.9 m -133.02 157.0 46.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.5 mtt85 -59.48 -51.33 70.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -55.3 -13.98 1.61 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -78.29 -25.84 60.7 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.483 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.7 mp -49.23 125.87 11.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.922 0.391 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.0 tp -133.92 116.97 16.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 87.0 m -121.47 139.62 53.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.463 HG11 ' N ' ' A' ' 85' ' ' ASN . 38.4 t -117.39 150.38 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.149 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.463 ' N ' HG11 ' A' ' 84' ' ' VAL . 3.9 m-80 -115.98 120.75 40.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 61.0 mt -103.57 139.71 38.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.951 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.432 ' NE ' ' O ' ' A' ' 56' ' ' PHE . 54.0 mtm180 -59.16 -48.93 79.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 87' ' ' ARG . 19.1 pt-20 -36.7 -34.16 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 87' ' ' ARG . . . 114.37 51.72 0.46 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.442 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.2 t -166.08 116.69 1.01 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.9 0.381 . . . . 0.0 110.831 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.56 ' HG3' ' CE1' ' A' ' 93' ' ' HIS . 0.6 OUTLIER -86.52 158.35 19.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.915 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.6 mt -113.21 122.13 46.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.56 ' CE1' ' HG3' ' A' ' 91' ' ' ARG . 70.7 m80 -97.32 112.11 24.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.457 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 18.1 mt -134.69 165.82 24.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.4 t -140.18 119.4 12.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -89.68 164.03 14.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.034 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.406 ' C ' HG23 ' A' ' 98' ' ' THR . 13.8 pt-20 -70.77 -37.12 73.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.406 HG23 ' C ' ' A' ' 97' ' ' GLU . 21.2 p -148.19 165.77 29.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -59.08 -34.87 72.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -57.21 -53.71 55.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -61.76 -42.82 99.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.6 -55.12 37.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 22.0 mt -53.29 -43.75 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -49.09 -41.83 36.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.048 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.411 ' NE1' HD11 ' A' ' 14' ' ' LEU . 43.6 m95 -69.3 -43.49 73.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.938 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -57.0 -39.46 74.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 91.6 m -73.21 -46.95 47.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.87 -29.0 70.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 46.0 mt -86.12 -55.07 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 10.9 mmt -51.53 -20.97 2.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -83.44 -64.99 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.59 -29.11 2.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.059 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.433 ' ND2' ' HG ' ' A' ' 114' ' ' SER . 1.0 OUTLIER -69.39 -39.79 77.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.913 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.433 ' HG ' ' ND2' ' A' ' 113' ' ' ASN . 14.1 m -115.14 41.11 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 26.1 m -156.62 105.0 1.98 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.587 0.708 . . . . 0.0 111.161 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -177.11 1.73 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.247 . . . . 0.0 112.324 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -110.97 83.29 3.57 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.591 0.71 . . . . 0.0 111.093 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -25.53 28.61 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.379 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -75.0 120.4 20.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -136.74 -71.76 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.448 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -84.4 139.55 32.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 0.0 111.129 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.66 141.03 35.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.173 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 29.8 m -55.55 141.96 62.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.612 0.72 . . . . 0.0 111.137 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 167.16 25.26 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.623 2.216 . . . . 0.0 112.358 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.3 t -92.59 -68.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 167.36 161.29 16.38 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 129' ' ' SER . 53.8 Cg_endo -69.73 -38.74 7.46 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.707 2.271 . . . . 0.0 112.325 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.3 t -40.1 95.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.823 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 127' ' ' PRO . 37.3 p -172.75 168.74 5.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.874 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.472 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -67.11 107.65 2.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.851 0.358 . . . . 0.0 110.87 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -124.19 147.81 47.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.9 158.36 8.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -56.33 144.96 28.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.873 0.368 . . . . 0.0 110.891 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.5 t -73.56 113.98 11.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' CA ' ' HG ' ' A' ' 33' ' ' LEU . . . 146.93 -50.85 0.58 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 tt -105.49 142.75 34.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 110.939 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.7 t -96.44 -53.54 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -170.38 155.39 5.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -141.8 -175.3 15.14 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.46 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 149.18 148.31 4.72 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -69.43 130.97 43.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.829 0.347 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.468 HD12 ' NE1' ' A' ' 105' ' ' TRP . 88.9 mt -134.59 142.34 46.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.418 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 95.5 m95 -79.71 115.14 19.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.6 ttt-85 -108.17 131.78 54.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.53 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 33.3 tt0 -88.23 143.68 26.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -64.76 177.92 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.7 p -96.13 -41.62 8.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.0 pt -117.01 -24.99 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.191 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.463 ' O ' ' CD ' ' A' ' 23' ' ' ARG . 4.3 mm? -80.42 -21.59 42.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 55.47 27.58 10.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.463 ' CD ' ' O ' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -111.7 141.02 45.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.893 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.53 ' CZ3' ' HB2' ' A' ' 17' ' ' GLN . 95.5 m95 -79.33 153.91 29.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -148.57 141.96 25.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.418 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 44.6 mtm180 -75.58 120.61 21.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -145.82 129.01 16.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.46 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 14.9 t-105 -79.62 129.99 34.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 39' ' ' TYR . 26.0 m-85 -110.59 145.57 37.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.29 127.05 14.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.7 tp -91.63 139.15 30.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -111.07 139.62 46.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.427 ' HG ' ' CA ' ' A' ' 7' ' ' GLY . 2.4 mt -56.28 -23.74 38.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.925 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -58.19 -19.25 31.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.814 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.3 33.57 5.64 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.502 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.2 p -129.77 170.98 13.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 111.163 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.458 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 12.3 tp -134.29 112.36 10.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.28 135.33 11.24 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.528 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.567 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 35.9 p90 -119.24 127.61 53.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.881 0.372 . . . . 0.0 110.927 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.547 ' CD2' ' HA ' ' A' ' 45' ' ' ALA . 1.9 m-85 -109.89 154.9 22.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.943 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -66.35 -53.53 35.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.402 ' CG ' ' OD2' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -77.88 175.2 10.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -65.86 -34.45 78.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.6 p -94.19 174.6 7.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.547 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . . . -94.23 81.15 4.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.105 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -125.13 -49.71 1.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.402 ' OD2' ' CG ' ' A' ' 42' ' ' ASP . 3.9 p30 -91.75 75.56 5.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -56.16 116.06 2.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -94.31 -48.62 6.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 2.5 t70 -171.33 172.11 5.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.402 ' HB2' ' NH1' ' A' ' 51' ' ' ARG . 17.0 ttm105 -152.39 122.09 6.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 31.9 m -110.07 144.44 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 54' ' ' ILE . 47.0 t -66.54 145.14 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.458 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 28.7 mm -115.94 -39.22 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 56' ' ' PHE . 18.1 t60 -53.72 121.46 7.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 55' ' ' HIS . 4.8 m-85 35.4 43.06 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -121.76 -22.51 5.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.2 t -82.96 99.79 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.139 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.1 tpt85 -66.24 -50.18 64.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -149.58 171.76 16.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.474 ' CG2' ' HD2' ' A' ' 106' ' ' LYS . 97.6 mt -149.34 116.19 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -103.95 144.3 31.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.431 HG22 ' CD1' ' A' ' 82' ' ' LEU . 44.5 t -141.48 129.94 22.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.155 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.21 -132.03 35.97 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.44 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 66' ' ' GLU . 35.9 mm-40 -40.69 -45.7 2.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.752 0.311 . . . . 0.0 110.903 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 65' ' ' GLN . 16.1 mt-10 -38.37 -46.89 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 85.4 m -61.17 175.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -173.42 152.46 2.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.415 ' C ' HG23 ' A' ' 70' ' ' VAL . 32.4 m-20 57.53 40.53 26.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.415 HG23 ' C ' ' A' ' 69' ' ' ASP . 89.4 t -146.46 127.21 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -93.59 123.01 61.35 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.633 0.73 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.426 ' HB3' ' CD1' ' A' ' 81' ' ' LEU . 53.5 Cg_endo -69.81 157.3 60.74 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.65 2.233 . . . . 0.0 112.343 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.456 ' HG2' ' CG ' ' A' ' 76' ' ' ARG . 53.7 Cg_endo -69.74 145.92 58.71 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.706 2.271 . . . . 0.0 112.333 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -55.07 135.72 48.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.86 -60.11 1.72 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.456 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 5.8 mmp_? -52.35 -172.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.807 0.337 . . . . 0.0 110.891 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.9 m -119.92 159.57 24.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -61.04 -51.05 70.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -45.33 -47.38 13.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -39.2 -36.47 0.57 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.445 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.459 HD11 ' N ' ' A' ' 81' ' ' LEU . 6.8 mp -38.19 138.42 0.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.838 0.352 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.431 ' CD1' HG22 ' A' ' 63' ' ' VAL . 6.8 tp -154.05 111.84 3.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.429 ' CG2' ' HB2' ' A' ' 91' ' ' ARG . 4.9 m -110.81 114.13 27.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 64.6 t -99.52 128.45 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -93.25 140.21 29.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 69.7 mt -116.5 150.07 38.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -58.82 -46.49 87.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.449 ' C ' ' OE1' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -45.9 -36.68 5.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 115.4 69.42 0.46 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.444 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 27.0 t -171.11 145.93 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.879 0.371 . . . . 0.0 110.866 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.429 ' HB2' ' CG2' ' A' ' 83' ' ' THR . 17.3 ptp180 -107.72 136.52 47.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.1 mt -95.51 107.78 19.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -79.18 104.55 9.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.535 HD23 ' CZ ' ' A' ' 29' ' ' PHE . 82.6 mt -132.36 160.17 37.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.889 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.47 ' SG ' ' CH2' ' A' ' 24' ' ' TRP . 36.2 m -141.92 126.96 18.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.7 159.92 14.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -52.49 -59.49 4.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 58.9 p -128.8 174.06 9.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -59.62 -44.12 93.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -52.17 -48.61 64.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -63.22 -46.96 84.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.3 -44.68 88.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 56.3 mt -60.72 -39.18 80.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.73 -41.53 70.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.468 ' NE1' HD12 ' A' ' 14' ' ' LEU . 60.3 m95 -66.88 -42.03 86.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.474 ' HD2' ' CG2' ' A' ' 61' ' ' ILE . 17.7 tptm -50.36 -45.0 54.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.853 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 88.0 m -79.39 -44.09 22.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.178 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.79 -26.36 67.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 40.4 mt -91.29 -51.01 5.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 3.4 mmt -53.46 -38.72 63.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -68.33 -59.96 2.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.5 -34.9 26.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.41 ' O ' ' CD1' ' A' ' 56' ' ' PHE . 1.6 t30 -70.02 -33.84 72.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 80.0 p -124.07 41.14 3.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 87.1 m -157.52 105.01 1.82 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.618 0.723 . . . . 0.0 111.14 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -176.79 1.61 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.716 2.278 . . . . 0.0 112.332 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.28 145.94 28.45 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.607 0.718 . . . . 0.0 111.101 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -10.43 28.51 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.329 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -97.79 165.69 11.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 164.74 84.15 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.43 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -81.73 173.51 12.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.873 0.368 . . . . 0.0 111.058 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 59.1 p -101.33 93.16 5.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 34.2 m -84.86 144.61 42.24 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.658 0.742 . . . . 0.0 111.105 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -171.21 0.45 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.74 2.293 . . . . 0.0 112.38 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 20.7 t -83.46 135.93 34.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.84 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -93.34 146.61 18.2 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.518 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 86.0 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.709 2.273 . . . . 0.0 112.347 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 17.7 m -157.3 125.41 5.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.843 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 66.5 m -42.29 154.64 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.8 p -156.09 125.52 6.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.367 . . . . 0.0 110.895 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -129.59 167.45 17.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 39.63 91.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.463 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.9 t -99.52 -48.19 4.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 110.844 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -89.52 156.81 18.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.33 -55.74 0.55 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.44 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.441 HD21 ' N ' ' A' ' 9' ' ' VAL . 3.2 tt -104.62 135.18 46.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.93 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.441 ' N ' HD21 ' A' ' 8' ' ' LEU . 90.5 t -94.7 -60.25 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 11' ' ' GLY . 4.5 tpm_? -141.82 150.85 42.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.419 ' N ' ' HG3' ' A' ' 10' ' ' ARG . . . -154.3 134.97 4.51 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.458 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . -176.99 163.02 31.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.458 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -75.81 143.25 41.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.855 0.359 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 81.3 mt -153.81 137.03 15.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.536 ' CH2' ' HD2' ' A' ' 26' ' ' ARG . 98.7 m95 -74.74 130.94 40.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.1 ttp85 -114.62 139.52 49.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -100.09 136.46 39.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.1 t -102.1 166.4 10.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.4 p -99.26 -17.42 18.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.909 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 92.2 mt -108.47 -35.3 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.161 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.2 tp -87.43 -19.83 27.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 42.85 41.92 2.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -146.49 144.52 29.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.539 ' CD1' ' HB3' ' A' ' 73' ' ' PRO . 98.3 m95 -72.74 138.18 46.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.26 135.71 47.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.536 ' HD2' ' CH2' ' A' ' 15' ' ' TRP . 20.1 mtt180 -72.18 131.23 42.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -148.93 145.96 27.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.458 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 14.8 t-105 -98.77 108.18 20.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.502 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 8.3 m-85 -93.39 145.62 24.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.86 133.34 24.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.2 tp -99.71 133.88 43.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 69.2 m95 -106.42 150.11 26.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.441 ' CD2' HG21 ' A' ' 9' ' ' VAL . 3.1 mt -56.64 -33.66 66.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 36' ' ' THR . 20.1 p30 -53.54 -20.46 5.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.439 ' N ' ' OD1' ' A' ' 34' ' ' ASP . . . 97.21 32.0 6.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.434 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.455 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 72.7 p -121.54 160.72 23.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 111.115 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.467 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . 11.6 tp -124.96 107.3 10.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.91 134.32 10.45 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.426 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 50' ' ' ASP . 18.9 p90 -119.18 131.89 55.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.906 0.384 . . . . 0.0 110.908 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 4.0 m-85 -115.61 162.83 16.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.923 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.418 ' CD2' ' HB2' ' A' ' 47' ' ' ASP . 15.5 m170 -43.86 -47.49 8.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.2 OUTLIER -144.78 167.46 22.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.824 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 42' ' ' ASP . 35.1 tt0 -35.3 -42.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 82.7 p -68.21 88.79 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.134 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.58 88.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -127.73 -50.0 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.418 ' HB2' ' CD2' ' A' ' 41' ' ' HIS . 9.4 m-20 -90.47 79.01 6.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -53.01 106.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -85.15 -50.73 7.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 9.3 m-20 -170.68 170.57 6.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.3 ttm105 -154.82 123.59 6.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.467 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 27.2 m -109.2 172.02 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.3 t -96.91 136.63 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.458 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 21.6 mm -108.34 -41.82 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 56' ' ' PHE . 11.6 t60 -49.91 118.83 3.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 55' ' ' HIS . 15.4 m-85 37.67 42.2 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -122.66 -15.22 7.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 71.6 t -82.44 94.29 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.151 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -64.63 -46.51 82.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -158.98 161.88 36.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.5 mt -141.33 121.83 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.142 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -105.33 130.42 53.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 88.2 t -132.72 136.27 56.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.077 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.03 -131.07 48.28 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.486 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 66' ' ' GLU . 11.9 tt0 -40.58 -48.03 2.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.778 0.323 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 65' ' ' GLN . 15.9 mt-10 -34.46 -39.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.433 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 19.8 p -37.09 149.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -131.84 -64.21 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -116.54 46.49 1.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.433 ' CG1' ' HB2' ' A' ' 67' ' ' CYS . 6.0 p -140.55 130.87 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -116.95 138.95 25.18 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.602 0.715 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 151.68 69.19 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.72 2.28 . . . . 0.0 112.335 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.539 ' HB3' ' CD1' ' A' ' 24' ' ' TRP . 54.6 Cg_endo -69.72 -168.73 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.624 2.216 . . . . 0.0 112.378 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -79.64 109.4 14.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 117.59 -48.66 0.92 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -65.16 169.08 5.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.338 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 t -114.0 152.71 30.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 58.1 mtm180 -60.89 -9.53 4.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -84.58 -14.96 47.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -87.36 -17.07 59.47 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 mp -46.21 143.01 2.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.363 . . . . 0.0 110.889 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.9 tp -156.44 118.1 3.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 12.0 m -120.06 135.52 54.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 95.7 t -118.57 129.68 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.174 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -96.93 137.22 36.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.3 mt -113.78 136.87 52.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -48.4 -37.97 18.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -45.87 -38.27 7.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 120.55 33.51 1.01 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.529 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.8 p -143.0 154.49 44.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -112.75 156.44 22.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.3 mt -114.81 106.87 14.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 61.6 m80 -78.42 103.36 8.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.502 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 44.5 mt -126.83 163.67 23.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 30.9 t -149.21 130.63 14.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.3 177.97 5.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -79.54 -44.96 20.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 41.3 p -133.42 168.53 18.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.181 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.4 ptt180 -64.4 -10.76 26.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -85.01 -55.21 4.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.16 -36.72 66.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.29 -62.45 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 58.2 mt -45.76 -44.37 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -46.87 -54.46 9.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 31.2 m95 -59.74 -44.47 93.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -53.49 -41.83 66.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 94.2 m -73.18 -43.51 61.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.59 -25.7 68.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.442 ' CD2' HD13 ' A' ' 54' ' ' ILE . 40.1 mt -88.69 -50.17 6.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 18.4 mmt -57.06 -36.25 70.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -67.98 -65.82 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.948 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -51.4 -41.69 60.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.096 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -54.47 -43.13 71.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.8 t -113.57 40.61 2.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 92.6 m -157.23 105.01 1.87 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.558 0.694 . . . . 0.0 111.16 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 163.57 37.78 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.649 2.233 . . . . 0.0 112.338 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -123.6 131.21 24.28 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.572 0.701 . . . . 0.0 111.148 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -17.74 37.59 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.39 92.76 3.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.09 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -160.83 128.53 1.96 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -130.53 167.77 18.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.904 0.383 . . . . 0.0 111.096 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 90.3 m -81.57 134.73 35.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 84.6 t -148.9 120.65 4.3 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.661 0.743 . . . . 0.0 111.068 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 89.35 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.661 2.241 . . . . 0.0 112.388 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 55.5 m -148.42 125.01 11.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.905 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.63 121.85 27.21 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.527 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 157.92 58.85 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.731 2.288 . . . . 0.0 112.346 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 54.0 p -67.35 163.17 21.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.8 t -128.92 116.11 18.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 t -60.47 128.0 34.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.895 0.378 . . . . 0.0 110.815 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.4 p -39.18 -44.62 1.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.03 -157.82 30.46 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.536 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 m -38.41 134.2 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.861 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 t -112.19 139.35 47.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.14 -36.95 1.01 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.45 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.1 tp -98.12 136.41 38.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.359 . . . . 0.0 110.911 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.423 ' CG2' ' CD2' ' A' ' 33' ' ' LEU . 41.4 t -95.74 -60.88 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.2 ttt85 -152.46 162.29 41.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -155.45 140.91 7.66 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.517 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.44 129.79 1.46 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.457 ' CH2' ' HA ' ' A' ' 42' ' ' ASP . 48.9 m95 -50.72 136.08 22.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.841 0.353 . . . . 0.0 110.907 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.2 mt -148.95 145.51 27.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.941 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.56 ' CH2' ' HD2' ' A' ' 26' ' ' ARG . 64.4 m95 -73.65 133.21 43.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.5 ttt-85 -120.46 133.79 55.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.511 ' HB2' ' CD2' ' A' ' 24' ' ' TRP . 12.4 tt0 -109.15 156.85 19.35 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.1 t -106.0 -174.96 2.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 88.1 p -102.01 -42.47 6.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.461 HG22 ' N ' ' A' ' 21' ' ' LEU . 19.5 tt -90.07 -48.15 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.131 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.461 ' N ' HG22 ' A' ' 20' ' ' ILE . 58.0 tp -70.03 -18.09 63.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 21' ' ' LEU . 43.6 mtm180 37.14 49.0 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.05 138.55 35.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.572 ' CZ3' ' HB2' ' A' ' 95' ' ' CYS . 78.5 m95 -82.48 149.41 27.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -149.6 138.12 20.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.56 ' HD2' ' CH2' ' A' ' 15' ' ' TRP . 31.3 mtp180 -68.73 128.31 36.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -150.35 148.88 29.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 -85.66 131.1 34.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.527 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 44.4 m-85 -122.78 135.0 54.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.87 139.39 32.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.069 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.7 tp -100.81 152.04 20.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 84.6 m95 -120.05 156.91 30.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.481 HD22 ' N ' ' A' ' 33' ' ' LEU . 3.1 mt -76.33 -17.5 59.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -83.01 19.74 1.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.35 59.29 10.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.486 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.9 p -150.52 138.52 20.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.825 0.345 . . . . 0.0 111.12 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.467 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 19.0 tp -117.9 110.8 18.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.36 141.23 13.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.491 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 50' ' ' ASP . 15.1 p90 -120.75 155.39 34.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.886 0.374 . . . . 0.0 110.96 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 45' ' ' ALA . 2.3 m-85 -134.73 163.69 29.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.545 ' CE1' ' OD2' ' A' ' 42' ' ' ASP . 2.0 p80 -53.14 -50.04 65.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.844 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.545 ' OD2' ' CE1' ' A' ' 41' ' ' HIS . 19.7 p30 -124.81 179.35 5.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -57.89 -38.72 76.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 46' ' ' GLN . 43.8 p -72.49 88.52 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.186 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 40' ' ' TYR . . . -46.31 91.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.072 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' THR . 36.5 mm-40 -129.73 -46.39 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.963 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.516 ' HB3' ' CD2' ' A' ' 41' ' ' HIS . 9.9 t0 -94.33 80.51 3.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -50.77 92.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -67.73 -48.11 67.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 5.8 t0 -171.22 174.96 4.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -155.91 125.75 6.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 32.7 m -118.09 171.3 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.12 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.5 t -98.1 135.91 30.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.076 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 37' ' ' LEU . 36.5 mm -103.77 -40.3 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -60.7 122.47 14.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 42.7 47.51 4.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -130.66 -35.01 1.5 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.441 HG12 ' CE ' ' A' ' 110' ' ' MET . 94.8 t -63.31 106.45 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.2 tpt85 -75.97 -44.08 41.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.99 143.41 5.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 69.0 mt -120.44 122.2 67.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.086 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -103.93 124.82 49.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.1 t -132.3 129.0 59.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . 59.37 -127.45 44.89 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.476 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 64' ' ' GLY . 58.9 tt0 -35.14 -51.87 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.757 0.313 . . . . 0.0 110.913 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 67' ' ' CYS . 3.6 mm-40 -37.75 -50.55 1.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 66' ' ' GLU . 1.0 OUTLIER -35.07 124.55 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -121.72 -43.55 2.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -124.22 41.45 3.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.411 ' O ' ' SG ' ' A' ' 67' ' ' CYS . 93.9 t -131.33 126.44 58.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -111.9 131.06 22.62 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.562 0.696 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 143.85 52.28 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.633 2.222 . . . . 0.0 112.329 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -164.76 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.646 2.231 . . . . 0.0 112.353 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -70.15 127.58 33.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.9 -59.33 3.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.532 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.461 ' NE ' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -46.16 172.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.842 -179.863 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.2 p -131.6 162.67 29.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.9 mtm180 -66.5 -4.21 7.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.51 -21.36 21.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 96' ' ' ALA . . . -99.41 24.59 31.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.3 mp -91.93 119.73 31.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.86 0.362 . . . . 0.0 110.938 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.7 tp -129.53 110.87 12.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.0 m -117.63 135.08 54.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.8 t -118.91 132.71 68.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.086 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -97.41 137.9 35.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.0 mt -110.59 143.38 41.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -74.03 -41.72 61.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -41.1 -42.81 2.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 136.89 51.26 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.476 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.7 m -170.96 170.98 6.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 110.927 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -129.75 171.36 12.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.1 mt -131.99 104.51 6.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -86.67 118.51 26.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.527 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 67.5 mt -136.82 159.41 41.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.572 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 37.2 t -147.09 114.36 6.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 80' ' ' GLY . . . -84.39 178.95 7.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -78.09 -42.57 31.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 78.6 p -134.09 164.37 27.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.414 ' HB2' ' NH1' ' A' ' 99' ' ' ARG . 3.9 ptm85 -58.14 -44.76 88.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -48.0 -62.79 1.29 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.97 -45.77 51.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.24 -52.97 61.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.063 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 63.7 mt -55.12 -43.46 70.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.02 -52.12 36.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.063 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -54.44 -46.3 73.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.8 tttm -50.8 -40.47 55.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 33.9 m -70.52 -49.89 43.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.65 -28.85 70.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.076 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 13.1 mt -82.58 -52.46 6.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.441 ' CE ' HG12 ' A' ' 58' ' ' VAL . 12.1 mmt -55.5 -44.12 76.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -64.1 -62.42 1.64 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.81 -32.22 5.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.099 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.06 -37.12 83.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 57.8 m -127.13 62.13 1.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 99.5 m -162.98 105.22 1.02 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.592 0.711 . . . . 0.0 111.183 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -174.64 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.651 2.234 . . . . 0.0 112.322 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -105.69 137.86 19.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.582 0.706 . . . . 0.0 111.117 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -1.93 9.31 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.725 2.283 . . . . 0.0 112.376 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -43.24 119.02 1.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.068 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -125.81 89.81 0.37 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -164.29 151.81 12.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 32.8 p -45.76 104.43 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.186 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 3.0 m -103.29 135.99 19.3 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.63 0.729 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 1.11 4.73 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.668 2.246 . . . . 0.0 112.342 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.9 m 47.9 38.33 8.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 176.19 145.89 5.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.535 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 114.88 3.84 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.707 2.271 . . . . 0.0 112.37 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.2 t -46.13 152.81 0.37 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 14.0 t -88.63 102.56 15.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 m -64.06 144.44 57.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.825 0.345 . . . . 0.0 110.9 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.4 t -121.92 145.86 47.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.8 115.71 3.22 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 m -136.2 172.4 13.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 110.885 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -56.6 155.43 7.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.49 -47.9 3.93 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.532 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.449 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 5.9 tp -98.67 133.81 42.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.862 0.363 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.1 t -84.03 -62.56 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.4 ttt85 -148.27 161.09 42.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -142.06 -179.77 19.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.454 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.37 -162.06 28.19 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -123.69 132.39 53.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.8 0.333 . . . . 0.0 110.973 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.0 mt -132.67 139.77 47.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.519 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 95.8 m95 -81.29 119.7 23.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.984 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.457 ' O ' ' CD ' ' A' ' 25' ' ' LYS . 29.9 ttp85 -109.72 129.44 55.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.46 ' NE2' ' NE1' ' A' ' 24' ' ' TRP . 13.3 tt0 -82.27 131.25 35.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.7 t -65.09 174.43 1.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.4 t -100.77 -35.19 9.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.3 mt -114.55 -36.96 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.409 HD11 ' CB ' ' A' ' 23' ' ' ARG . 0.6 OUTLIER -74.76 -13.36 60.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 179.908 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.9 mtm-85 41.48 54.81 3.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.409 ' CB ' HD11 ' A' ' 21' ' ' LEU . 39.5 ttt180 -144.64 141.26 29.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.46 ' NE1' ' NE2' ' A' ' 17' ' ' GLN . 89.3 m95 -79.83 129.4 34.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.457 ' CD ' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -128.55 147.1 50.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.519 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 55.6 mtm180 -68.5 139.11 55.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -150.31 128.11 11.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 23.6 t-105 -86.01 99.21 11.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.7 ' CE2' ' CD2' ' A' ' 39' ' ' TYR . 47.6 m-85 -90.49 141.38 28.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.852 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.11 133.73 23.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.104 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.4 tp -100.05 137.37 38.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.449 ' CZ3' HD11 ' A' ' 8' ' ' LEU . 73.5 m95 -105.97 151.21 24.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.7 mt -61.25 -19.99 62.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.97 -11.74 61.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.37 42.52 5.5 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.46 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.3 p -133.04 151.9 52.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.839 0.352 . . . . 0.0 111.115 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.467 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 11.4 tp -122.95 107.31 11.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.8 136.59 10.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.51 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.7 ' CD2' ' CE2' ' A' ' 29' ' ' PHE . 13.8 p90 -117.89 131.12 56.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.948 0.404 . . . . 0.0 110.903 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.435 ' N ' ' CD1' ' A' ' 40' ' ' TYR . 3.3 m-85 -113.13 173.46 6.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.894 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.499 ' CG ' ' N ' ' A' ' 42' ' ' ASP . 7.9 p80 -60.36 -51.01 71.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.845 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.499 ' N ' ' CG ' ' A' ' 41' ' ' HIS . 4.7 t70 -147.85 -177.55 5.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.821 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 42' ' ' ASP . 17.1 pt-20 -37.62 -39.49 0.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.9 p -73.25 108.3 6.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.164 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.415 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . . . -85.37 51.72 2.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -101.19 -6.09 24.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -129.83 68.68 1.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -52.87 115.11 1.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -82.84 -43.9 16.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 17.2 m-20 -169.01 174.48 6.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -156.03 127.09 7.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.3 m -123.14 136.66 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.4 t -65.28 143.98 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.467 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 18.4 mm -113.41 -38.51 2.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.168 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -59.85 120.29 9.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 41.55 40.03 1.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -123.24 -25.65 4.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.4 t -77.62 101.52 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.439 ' NH1' ' CZ ' ' A' ' 87' ' ' ARG . 5.5 tpt180 -66.33 -49.29 67.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -158.06 167.97 28.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 75.2 mt -143.07 124.15 11.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -108.94 147.67 31.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 40.0 t -142.65 143.83 25.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.17 -132.7 52.69 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.521 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 66' ' ' GLU . 1.7 mp0 -42.05 -53.21 4.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.733 0.302 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 67' ' ' CYS . 13.0 mt-10 -34.77 -36.96 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 66' ' ' GLU . 17.9 p -34.25 148.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.417 ' CD ' ' O ' ' A' ' 68' ' ' GLN . 1.1 tm0? -77.73 55.91 1.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 46.7 39.21 6.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.813 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -75.56 -179.88 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -110.3 111.39 57.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.541 0.686 . . . . 0.0 110.942 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 143.54 50.98 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.67 2.246 . . . . 0.0 112.319 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 163.05 39.75 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -64.12 141.9 58.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.35 -60.68 2.94 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.508 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -62.69 176.86 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.838 0.351 . . . . 0.0 110.832 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.5 m -118.53 173.31 6.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.6 mtt85 -69.11 -41.83 76.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.77 -12.23 4.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -81.44 -27.9 46.08 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.6 mp -51.51 137.87 23.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.817 0.341 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.4 tp -149.26 111.15 4.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.8 m -108.1 128.69 54.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 48.8 t -110.23 134.8 51.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -101.82 136.39 41.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 25.2 mt -113.55 153.64 28.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.439 ' CZ ' ' NH1' ' A' ' 59' ' ' ARG . 17.0 mtp85 -69.6 -40.14 76.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -51.57 -22.72 3.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.64 62.93 0.79 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.4 t -169.79 119.57 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 110.859 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -83.23 156.55 23.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.8 mt -117.46 111.4 19.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -84.51 112.19 20.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.425 HD23 ' CZ ' ' A' ' 29' ' ' PHE . 17.7 mt -136.18 172.29 13.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 38.2 t -155.44 128.48 8.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.61 162.88 13.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.06 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -69.31 -37.13 77.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.2 p -141.21 154.25 45.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.194 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.33 -25.68 2.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.31 -63.2 1.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -48.93 -38.32 22.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.81 -57.16 13.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 73.5 mt -55.76 -39.77 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.147 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.16 -52.67 41.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -63.52 -39.62 94.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.6 ttmt -57.88 -42.87 85.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 93.1 m -75.37 -43.68 49.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.18 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.18 -29.32 70.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 58.2 mt -86.63 -49.0 7.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 8.5 mmt -54.84 -32.17 60.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.66 -62.88 1.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.87 -35.83 11.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.7 -37.88 89.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 35.1 p -116.84 40.96 2.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 94.0 m -158.06 104.99 1.73 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.566 0.698 . . . . 0.0 111.16 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -178.07 2.17 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.644 2.229 . . . . 0.0 112.354 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -136.33 149.05 66.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.606 0.717 . . . . 0.0 111.111 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -50.27 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.644 2.229 . . . . 0.0 112.344 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.09 175.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -48.66 148.12 4.84 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.42 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -170.75 141.34 1.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.877 0.37 . . . . 0.0 111.104 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 58.1 p -106.69 112.78 25.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.133 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -91.92 143.57 27.94 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.613 0.72 . . . . 0.0 111.144 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 162.21 42.92 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.685 2.257 . . . . 0.0 112.335 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 62.9 m -92.61 -50.8 5.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 136.58 80.18 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.468 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -41.15 4.63 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.657 2.238 . . . . 0.0 112.367 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 23.3 t -126.25 104.06 8.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.816 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 6.9 t -59.42 108.5 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.546 -0.222 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.1 p -108.86 90.16 3.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.929 0.395 . . . . 0.0 110.833 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.9 p -111.26 95.37 5.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.84 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.1 50.89 0.14 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.0 p -135.87 162.18 33.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.905 0.383 . . . . 0.0 110.844 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.2 m -150.68 133.07 15.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.444 ' CA ' ' HG ' ' A' ' 33' ' ' LEU . . . 77.62 -66.54 3.0 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.48 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.0 tp -92.55 134.56 34.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.35 . . . . 0.0 110.926 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.0 t -94.61 -62.19 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.554 ' HB3' ' CH2' ' A' ' 105' ' ' TRP . 4.4 tpm_? -123.59 153.66 40.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -155.04 105.02 0.26 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -162.77 156.81 28.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 49.9 m95 -79.42 134.57 36.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.847 0.356 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.562 HD12 ' CD1' ' A' ' 105' ' ' TRP . 84.8 mt -136.9 142.2 42.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.565 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 87.5 m95 -74.87 119.75 19.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.3 ttt-85 -109.0 140.82 42.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -104.67 148.18 26.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.8 t -85.32 167.82 15.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.4 t -82.45 -39.77 22.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.6 mp -103.91 -46.65 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 22' ' ' ARG . 2.6 mm? -72.96 -16.62 61.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 22' ' ' ARG . 13.5 mtp-105 34.38 42.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 -113.25 137.56 51.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.531 ' CD1' ' HB3' ' A' ' 73' ' ' PRO . 97.0 m95 -76.07 131.74 39.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.945 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.8 ptpt -139.21 141.12 37.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.565 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 15.7 mtp180 -65.77 132.27 48.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -143.15 155.92 44.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -107.37 104.4 13.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.515 ' CE2' ' HB3' ' A' ' 39' ' ' TYR . 37.1 m-85 -100.2 139.97 35.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.65 130.85 16.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.3 tp -95.43 143.02 27.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 72.1 m95 -113.48 150.98 32.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.444 ' HG ' ' CA ' ' A' ' 7' ' ' GLY . 3.2 mt -58.0 -34.48 70.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.53 -23.08 3.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.48 35.71 4.58 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.458 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.5 p -129.17 157.36 42.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.839 0.352 . . . . 0.0 111.141 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.461 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 12.4 tp -123.75 117.23 24.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.45 138.73 13.1 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.515 ' HB3' ' CE2' ' A' ' 29' ' ' PHE . 46.6 p90 -123.68 121.34 35.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.894 0.378 . . . . 0.0 110.91 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.479 ' CD2' ' HA ' ' A' ' 48' ' ' GLU . 3.9 m-85 -105.53 173.7 6.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.877 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -80.9 -43.98 19.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.06 -179.75 3.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 44' ' ' THR . 16.5 tt0 -68.85 -42.04 77.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 43' ' ' GLU . 20.2 p -35.27 -41.19 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.452 ' HA ' ' CG ' ' A' ' 40' ' ' TYR . . . 65.06 38.61 6.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -110.74 -8.3 14.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 48' ' ' GLU . 3.4 t70 -109.65 44.6 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.479 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . 21.6 tt0 -36.95 109.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -75.01 -43.46 53.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -164.56 173.45 12.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -144.53 121.91 11.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.457 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 35.7 m -116.01 128.36 73.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.9 t -59.26 143.81 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.461 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 17.4 mm -113.02 -39.74 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.138 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 56' ' ' PHE . 11.4 t-160 -56.55 121.58 10.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.437 ' O ' ' NH2' ' A' ' 87' ' ' ARG . 7.0 m-85 35.81 38.53 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -118.08 -27.3 6.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.2 t -78.11 114.13 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.2 tpt85 -73.72 -50.15 22.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -152.77 174.85 13.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 70.5 mt -152.95 116.09 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -101.66 126.26 48.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 53.1 t -127.61 130.9 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . 56.19 -130.7 49.78 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 64' ' ' GLY . 0.4 OUTLIER -34.39 -50.78 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.729 0.3 . . . . 0.0 110.901 -179.895 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -41.17 -48.47 3.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.66 106.77 18.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -116.21 -12.8 11.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -93.05 25.32 3.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.4 t -136.59 135.15 49.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -96.1 122.05 59.1 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.562 0.696 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 155.31 66.23 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.701 2.267 . . . . 0.0 112.328 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.531 ' HB3' ' CD1' ' A' ' 24' ' ' TRP . 53.9 Cg_endo -69.75 142.89 49.22 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.614 2.209 . . . . 0.0 112.4 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -54.9 108.67 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 131.68 -56.1 0.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.421 ' N ' ' HD2' ' A' ' 76' ' ' ARG . 8.6 mpt_? -75.02 175.49 8.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.807 0.337 . . . . 0.0 110.873 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 t -102.13 178.57 4.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -83.55 -6.92 59.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -78.98 -6.18 55.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.13 -26.23 22.13 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.461 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.2 mp -42.72 130.67 4.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.858 0.361 . . . . 0.0 110.925 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.1 tp -151.82 110.34 3.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.4 m -116.37 128.74 55.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 81.5 t -110.46 130.79 63.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -98.93 145.1 27.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 45.7 mt -114.22 152.31 31.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.437 ' NH2' ' O ' ' A' ' 56' ' ' PHE . 5.4 ptp180 -76.37 -20.43 57.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -70.31 -44.55 68.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 132.52 57.54 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.495 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.1 t -165.83 132.59 2.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.862 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -101.34 146.02 28.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.4 mt -111.89 104.83 13.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -81.84 113.82 20.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.867 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.467 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 88.4 mt -131.78 176.41 8.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.461 ' N ' ' O ' ' A' ' 15' ' ' TRP . 36.5 t -161.89 139.36 8.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -107.8 179.93 4.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -88.43 -44.15 10.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.7 p -120.99 173.99 6.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.163 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 21.5 ptt-85 -72.72 -43.06 63.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -52.89 -57.4 10.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -50.5 -49.68 54.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.91 -48.97 74.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.096 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 72.7 mt -61.45 -45.23 99.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -49.52 -51.12 38.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.562 ' CD1' HD12 ' A' ' 14' ' ' LEU . 39.0 m95 -59.44 -44.51 92.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 58.2 tttt -57.14 -39.91 76.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 97.0 m -73.17 -41.64 63.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.84 -26.3 66.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 36.4 mt -86.06 -54.6 4.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 13.2 mmt -51.13 -40.57 58.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.869 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -60.61 -68.56 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.61 -43.98 46.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.092 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.55 -34.19 72.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -120.93 47.77 1.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.811 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 99.0 m -160.51 107.82 1.34 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.605 0.717 . . . . 0.0 111.16 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -173.26 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.366 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.429 ' N ' ' CD ' ' A' ' 118' ' ' PRO . . . 66.67 54.48 0.84 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.592 0.711 . . . . 0.0 111.13 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.429 ' CD ' ' N ' ' A' ' 117' ' ' ALA . 53.5 Cg_endo -69.79 -8.62 24.07 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.657 2.238 . . . . 0.0 112.377 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.19 167.34 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 165.35 83.63 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.531 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 71.9 36.38 1.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.826 0.346 . . . . 0.0 111.058 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 11.0 t -145.37 164.7 30.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 33.9 m -64.81 141.09 98.25 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.605 0.717 . . . . 0.0 111.146 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 113.48 3.4 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.626 2.217 . . . . 0.0 112.345 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.6 m -174.96 161.54 2.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -146.77 -173.1 17.71 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.462 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 170.25 17.01 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.683 2.255 . . . . 0.0 112.353 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 22.9 m -84.68 -55.46 4.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.6 t -131.96 93.07 3.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m -146.21 178.15 8.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.0 110.857 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -132.96 114.05 13.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.96 123.03 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.489 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.5 m -63.2 107.32 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.37 . . . . 0.0 110.839 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.1 t -64.53 -50.36 67.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.91 -43.4 1.68 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.46 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tt -101.32 139.35 37.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 110.915 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.3 t -86.49 -60.86 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.149 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -163.28 165.05 24.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.544 ' HA3' ' CZ2' ' A' ' 28' ' ' TRP . . . -125.36 -159.88 10.49 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 127.66 123.74 2.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 62.4 m95 -65.41 147.72 52.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.816 0.341 . . . . 0.0 110.939 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.404 HD12 ' CD1' ' A' ' 105' ' ' TRP . 39.2 mt -147.6 137.24 22.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.463 ' CH2' ' HD2' ' A' ' 26' ' ' ARG . 93.0 m95 -78.38 119.99 22.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.971 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.7 ttp85 -108.13 137.31 46.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.565 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 26.8 tt0 -101.85 124.27 47.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.964 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.7 t -83.58 168.25 16.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.835 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.2 m -93.95 -40.34 10.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.3 mp -82.73 -49.07 17.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.167 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 22' ' ' ARG . 6.6 tp -80.82 -12.22 59.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 21' ' ' LEU . 1.2 ptp180 34.41 47.82 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -137.51 150.99 47.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.565 ' CZ3' ' HB2' ' A' ' 17' ' ' GLN . 99.2 m95 -82.9 132.77 35.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.36 144.09 50.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.463 ' HD2' ' CH2' ' A' ' 15' ' ' TRP . 27.5 mtt180 -79.29 133.39 36.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -148.62 142.98 26.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.544 ' CZ2' ' HA3' ' A' ' 11' ' ' GLY . 20.8 t-105 -95.58 98.2 10.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -83.62 115.23 22.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.51 126.84 55.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 51.9 tp -93.61 136.12 34.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -107.07 146.07 31.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.92 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.443 HD22 ' N ' ' A' ' 33' ' ' LEU . 3.0 mt -57.59 -27.56 62.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -59.11 -16.41 19.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.46 42.06 4.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.478 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.1 p -135.45 161.13 36.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 0.0 111.14 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.456 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 10.5 tp -127.76 111.22 13.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.53 131.77 7.74 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -113.55 126.83 55.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.888 0.375 . . . . 0.0 110.902 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.496 ' CE2' ' HB3' ' A' ' 45' ' ' ALA . 4.9 m-85 -116.25 171.95 7.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -52.77 -62.68 1.49 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.64 -179.61 4.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -45.2 -42.82 9.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.4 p -74.61 106.7 6.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.496 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . . . -65.05 91.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -113.01 -48.94 2.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -106.38 94.19 5.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.83 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -66.11 101.23 0.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -70.63 -46.01 64.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -172.7 172.33 4.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -152.65 122.02 6.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.434 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 26.8 m -113.95 140.11 36.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.8 t -69.5 135.31 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.467 HD12 ' CD2' ' A' ' 109' ' ' LEU . 13.3 mm -105.3 -43.18 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 56' ' ' PHE . 14.1 t-160 -50.35 121.83 6.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 55' ' ' HIS . 42.4 m-85 36.03 45.9 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -123.39 -24.28 4.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.5 t -80.01 104.06 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.2 tpp85 -72.38 -39.01 68.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.437 ' OD2' ' CG ' ' A' ' 85' ' ' ASN . 2.6 p-10 -162.82 163.46 26.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.803 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 59.2 mt -147.99 122.96 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.405 ' HB3' ' CB ' ' A' ' 66' ' ' GLU . 19.1 mttm -111.22 150.92 28.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.4 HG23 ' C ' ' A' ' 62' ' ' LYS . 95.6 t -141.45 133.75 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.132 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.49 -140.57 35.49 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -41.91 -36.63 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.756 0.313 . . . . 0.0 110.917 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.405 ' CB ' ' HB3' ' A' ' 62' ' ' LYS . 37.5 mt-10 -52.01 -43.45 63.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 83.2 m -58.68 163.89 3.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -58.54 -174.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -82.03 39.72 0.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 44.6 t -69.99 152.58 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -99.12 119.19 61.3 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.567 0.699 . . . . 0.0 110.941 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 147.58 63.61 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.706 2.271 . . . . 0.0 112.343 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 151.56 68.91 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 2.263 . . . . 0.0 112.305 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -38.45 145.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.95 -57.08 4.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.46 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.469 ' HD3' ' N ' ' A' ' 76' ' ' ARG . 0.7 OUTLIER -59.23 167.92 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 -179.85 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 46.3 m -125.33 168.47 13.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.836 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -62.96 -35.57 80.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.806 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.51 -9.94 10.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -87.93 -26.46 29.07 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.544 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.8 mp -48.93 142.15 6.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.847 0.356 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.8 tp -151.94 111.04 3.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 68.7 m -111.38 133.96 53.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 85' ' ' ASN . 58.7 t -119.38 139.81 45.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.47 ' N ' HG13 ' A' ' 84' ' ' VAL . 1.5 m-80 -103.14 133.31 48.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 42.0 mt -110.93 142.72 42.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 17.6 mtp85 -51.83 -36.86 49.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -53.19 -30.26 36.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 128.12 -46.31 1.09 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 74.1 m -69.47 154.05 42.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.361 . . . . 0.0 110.879 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.462 ' HG2' ' ND2' ' A' ' 85' ' ' ASN . 62.4 mtt180 -118.02 143.55 46.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.9 mt -87.28 118.49 26.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -99.53 110.31 22.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 22.0 mt -132.68 174.09 10.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 15' ' ' TRP . 42.1 t -154.2 125.97 7.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.2 174.18 7.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -80.58 -33.64 35.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 81.4 p -131.33 -175.85 3.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -89.21 -14.83 35.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.808 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -80.22 -47.7 14.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.88 -38.45 82.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.73 -55.49 34.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 60.8 mt -53.43 -46.01 58.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.156 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -49.05 -51.18 32.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.107 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.404 ' CD1' HD12 ' A' ' 14' ' ' LEU . 35.9 m95 -60.92 -41.76 96.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -56.19 -42.88 77.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 87.1 m -71.49 -43.09 67.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.07 -29.82 71.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.076 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.467 ' CD2' HD12 ' A' ' 54' ' ' ILE . 40.9 mt -85.36 -52.41 5.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 5.8 mmt -49.74 -44.25 48.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -63.21 -63.32 1.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.17 -38.52 11.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.85 -41.75 98.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.3 t -116.28 41.84 2.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 52.0 m -157.09 104.99 1.9 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.602 0.715 . . . . 0.0 111.125 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -177.16 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.7 2.266 . . . . 0.0 112.37 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -139.38 151.24 66.55 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.605 0.717 . . . . 0.0 111.073 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.84 -12.38 32.63 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.631 2.22 . . . . 0.0 112.381 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.3 166.78 18.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -113.09 -171.78 18.18 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.456 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -94.54 85.83 4.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.831 0.348 . . . . 0.0 111.071 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 25.7 m -122.14 145.25 48.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.2 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 86.5 t -88.66 111.89 46.92 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.598 0.713 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 98.09 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.724 2.283 . . . . 0.0 112.327 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 60.1 p -55.45 158.2 3.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 149.84 -112.19 0.54 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.452 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 156.27 63.81 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.673 2.249 . . . . 0.0 112.343 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 27.9 t -154.4 155.88 35.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 12.2 m -60.21 174.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.521 -179.963 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.687 HD21 ' O ' ' A' ' 10' ' ' ARG . 3.1 tt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.849 0.357 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.474 ' N ' HD23 ' A' ' 8' ' ' LEU . 65.7 t -91.92 -58.84 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.687 ' O ' HD21 ' A' ' 8' ' ' LEU . 36.1 ttm-85 -144.49 158.54 43.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -154.69 96.17 0.16 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.526 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -133.83 179.13 17.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.478 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 71.4 m95 -98.82 129.69 45.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.864 0.364 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.842 HD11 ' NE1' ' A' ' 105' ' ' TRP . 33.1 mt -131.64 153.86 49.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.557 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 89.8 m95 -91.03 120.86 32.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.1 ttp85 -111.61 136.77 50.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.93 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 55.1 ttt-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.768 0.318 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.468 ' CH2' ' HB2' ' A' ' 95' ' ' CYS . 90.0 m95 -76.24 147.25 38.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.55 156.36 43.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.557 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 49.7 mtm180 -78.55 131.49 36.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -146.2 141.42 27.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.592 ' CH2' ' HB2' ' A' ' 30' ' ' ALA . 80.1 t90 -98.42 107.74 20.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.411 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 15.9 m-85 -95.29 133.11 39.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.858 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.592 ' HB2' ' CH2' ' A' ' 28' ' ' TRP . . . -133.22 124.76 27.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 36' ' ' THR . 21.5 tp -93.6 137.7 32.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.533 ' CZ3' HD12 ' A' ' 8' ' ' LEU . 64.8 m95 -105.17 148.95 26.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.9 mt -58.72 -36.52 74.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -53.82 -18.12 3.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.87 38.56 4.09 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.519 ' O ' HD12 ' A' ' 31' ' ' LEU . 24.4 p -126.98 159.21 34.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 111.137 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.534 ' HB2' HD11 ' A' ' 54' ' ' ILE . 10.3 tp -129.34 113.01 14.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.31 134.36 8.55 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -118.29 127.5 53.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.903 0.383 . . . . 0.0 110.881 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.548 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 1.6 m-85 -111.63 168.19 9.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.938 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -48.31 -55.92 9.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 43' ' ' GLU . 1.1 m-20 -135.66 171.82 13.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 42' ' ' ASP . 7.9 pt-20 -36.34 -42.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 67.1 p -73.44 107.33 5.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.548 ' HB1' ' CE2' ' A' ' 40' ' ' TYR . . . -70.39 84.21 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -114.35 -41.94 3.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -117.93 79.13 1.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.413 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . 5.0 pt-20 -54.82 126.22 23.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -85.28 -43.48 13.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -170.69 175.41 4.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -152.17 122.78 7.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.455 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 35.3 m -114.8 156.61 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.45 HG12 ' HB2' ' A' ' 57' ' ' ASN . 66.2 t -82.93 137.56 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.534 HD11 ' HB2' ' A' ' 37' ' ' LEU . 13.0 mm -108.43 -42.28 5.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 56' ' ' PHE . 25.7 t-80 -57.38 121.44 10.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 55' ' ' HIS . 24.6 m-85 37.05 47.4 0.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.45 ' HB2' HG12 ' A' ' 53' ' ' VAL . 4.4 t30 -128.27 -37.43 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.63 HG11 HD11 ' A' ' 61' ' ' ILE . 57.4 t -66.17 110.67 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.9 ttt85 -73.0 -41.78 63.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.445 ' C ' HG13 ' A' ' 61' ' ' ILE . 14.8 t70 -165.96 170.1 14.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.63 HD11 HG11 ' A' ' 58' ' ' VAL . 90.3 mt -151.63 126.1 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.078 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -106.08 154.24 20.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.601 HG13 ' HB1' ' A' ' 102' ' ' ALA . 99.1 t -149.15 133.88 9.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . 65.25 -143.93 46.86 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.513 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.453 ' O ' ' C ' ' A' ' 66' ' ' GLU . 48.4 tp60 -37.34 -42.8 0.51 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.737 0.303 . . . . 0.0 110.914 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' GLN . 24.9 mt-10 -33.98 -43.57 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 21.9 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.888 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.471 ' CA ' HD11 ' A' ' 81' ' ' LEU . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 121.604 0.585 . . . . 0.0 112.344 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -165.77 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.701 2.267 . . . . 0.0 112.367 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -70.72 132.44 45.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.31 -61.98 3.86 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -48.09 176.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.855 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.39 161.53 36.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -58.65 -11.39 3.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -85.45 24.37 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -137.72 -30.55 0.25 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.471 HD11 ' CA ' ' A' ' 72' ' ' PRO . 6.8 mp -36.74 151.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.767 0.317 . . . . 0.0 110.937 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.492 HD12 HG22 ' A' ' 63' ' ' VAL . 6.9 tt -168.85 125.99 0.99 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 36.1 m -129.59 140.37 51.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.578 HG13 HG12 ' A' ' 61' ' ' ILE . 61.3 t -115.7 139.88 40.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.148 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -108.25 139.93 42.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 37.6 mt -109.61 144.98 37.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -55.78 -32.41 63.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -61.81 -20.04 63.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 120.21 -49.84 0.86 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.473 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 73.2 m -61.53 152.38 30.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.348 . . . . 0.0 110.888 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -118.76 -178.65 3.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.2 mt -133.33 112.89 12.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 43.0 m80 -84.18 115.78 22.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.411 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 25.5 mt -136.36 172.62 12.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.468 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 25.2 t -160.06 120.66 3.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.31 141.43 28.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -49.15 -39.61 29.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 64.7 p -134.15 163.99 28.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -59.09 -41.42 88.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -50.72 -54.29 24.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.3 -49.2 72.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.601 ' HB1' HG13 ' A' ' 63' ' ' VAL . . . -52.46 -54.37 33.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 63.5 mt -55.6 -46.84 79.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.17 -44.52 61.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.842 ' NE1' HD11 ' A' ' 14' ' ' LEU . 20.8 m95 -70.24 -41.37 73.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.944 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 57.2 tttt -59.77 -45.29 92.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 86.4 m -72.96 -43.57 62.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.66 -30.44 70.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.054 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 58.9 mt -84.85 -58.89 2.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.581 ' HG2' HD12 ' A' ' 61' ' ' ILE . 8.0 mmt -43.45 -42.13 4.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -64.39 -62.1 1.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -48.98 -31.59 7.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -69.44 -38.93 78.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -122.65 43.07 3.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 98.3 m -159.32 104.98 1.52 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.542 0.686 . . . . 0.0 111.155 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.244 . . . . 0.0 112.371 179.926 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.5 tp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.819 0.342 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.3 t -109.09 -58.9 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.7 ttm-85 -159.73 154.01 23.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.428 ' HA3' ' CZ2' ' A' ' 28' ' ' TRP . . . -120.28 -148.64 8.15 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 127.77 177.55 14.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 72.2 m95 -123.22 136.47 54.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.842 0.353 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.655 HD11 ' NE1' ' A' ' 105' ' ' TRP . 10.3 mt -143.47 155.56 44.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.553 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 98.5 m95 -91.23 118.85 30.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.454 ' HB2' ' CD2' ' A' ' 94' ' ' LEU . 17.4 ttt85 -108.68 143.27 37.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.949 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.9 mtp85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.843 0.354 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.448 ' CD1' ' HB3' ' A' ' 73' ' ' PRO . 92.3 m95 -80.77 137.82 36.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 pttt -143.45 145.45 32.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.553 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 14.4 mtp85 -64.98 140.98 58.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -155.44 131.53 10.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.428 ' CZ2' ' HA3' ' A' ' 11' ' ' GLY . 8.8 t-105 -87.15 112.17 21.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.493 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 24.0 m-85 -98.05 148.72 23.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.918 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.32 131.81 12.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.061 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.6 tp -94.48 139.11 31.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -105.36 153.9 21.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mt -67.51 -25.46 65.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -63.51 -11.15 21.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.04 42.42 5.31 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.523 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.2 p -138.49 158.98 43.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 0.0 111.159 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.465 ' HB2' HD11 ' A' ' 54' ' ' ILE . 11.9 tp -125.97 120.25 29.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.949 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.84 139.4 11.7 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -113.88 122.82 48.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.855 0.359 . . . . 0.0 110.917 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.716 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 47.1 m-85 -113.76 170.95 7.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.95 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -67.56 -54.01 23.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -138.98 -177.24 4.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -42.79 -30.2 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.9 p -82.43 112.47 19.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.716 ' HB1' ' CE2' ' A' ' 40' ' ' TYR . . . -82.14 40.36 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -83.71 -38.07 21.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -90.59 42.16 1.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -37.55 114.76 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -86.33 -51.66 6.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -174.86 173.48 2.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -153.32 124.46 7.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.7 m -105.27 171.17 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.7 t -89.63 139.48 17.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.465 HD11 ' HB2' ' A' ' 37' ' ' LEU . 8.9 mm -108.72 -40.71 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 56' ' ' PHE . 32.5 t-80 -54.04 120.07 5.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 55' ' ' HIS . 43.5 m-85 36.82 42.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -121.51 -12.22 8.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.451 HG11 HD11 ' A' ' 61' ' ' ILE . 85.3 t -90.28 101.16 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.42 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 3.3 tpt180 -68.05 -44.66 75.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.42 ' CG ' ' O ' ' A' ' 59' ' ' ARG . 10.6 m-20 -161.44 159.68 28.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.451 HD11 HG11 ' A' ' 58' ' ' VAL . 26.2 mt -138.18 121.0 19.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.438 ' HB3' ' CB ' ' A' ' 66' ' ' GLU . 17.8 mtpp -107.01 140.5 39.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.464 HG22 ' CD1' ' A' ' 82' ' ' LEU . 86.0 t -138.22 140.67 39.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . 50.4 -126.88 25.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 64' ' ' GLY . 32.7 mt-30 -35.15 -55.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.775 0.321 . . . . 0.0 110.928 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.438 ' CB ' ' HB3' ' A' ' 62' ' ' LYS . 22.9 mt-10 -36.5 -50.52 0.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 59.6 m . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 -179.894 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.43 ' HB3' ' CD1' ' A' ' 81' ' ' LEU . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 121.532 0.555 . . . . 0.0 112.377 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.463 ' HG2' ' CG ' ' A' ' 76' ' ' ARG . 53.8 Cg_endo -69.78 -172.94 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.68 2.253 . . . . 0.0 112.332 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.489 ' C ' ' CD ' ' A' ' 74' ' ' GLU . 2.8 tm-20 -76.87 122.84 25.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.6 -34.47 5.55 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.463 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 6.5 mpt_? -70.34 -177.39 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 0.0 110.847 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.4 m -128.79 153.33 47.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.3 mtm180 -61.5 -53.99 49.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -46.51 -20.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -74.32 -38.54 45.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.43 ' CD1' ' HB3' ' A' ' 72' ' ' PRO . 5.5 mp -37.82 142.51 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.464 ' CD1' HG22 ' A' ' 63' ' ' VAL . 6.5 tp -156.77 115.65 3.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.9 m -116.77 113.73 22.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.176 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 92' ' ' LEU . 97.3 t -98.66 123.9 51.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -86.58 139.25 31.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 78.0 mt -119.0 143.42 47.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -53.8 -44.82 70.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -43.88 -29.77 0.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 107.33 34.05 3.01 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.485 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 m -149.9 107.52 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.904 0.383 . . . . 0.0 110.852 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.16 175.85 3.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 84' ' ' VAL . 8.6 mt -127.62 108.16 10.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -77.96 123.66 27.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.493 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 39.2 mt -146.75 174.62 11.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 51.6 t -156.1 115.12 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.578 ' HB3' ' HB2' ' A' ' 102' ' ' ALA . . . -87.37 150.7 23.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -52.92 -60.19 3.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 44.4 p -113.59 177.75 4.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -71.83 -31.81 66.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -61.43 -63.48 1.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -46.56 -45.0 18.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.578 ' HB2' ' HB3' ' A' ' 96' ' ' ALA . . . -57.08 -51.71 68.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.062 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 52.6 mt -59.3 -41.35 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.124 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -47.54 -53.94 13.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.655 ' NE1' HD11 ' A' ' 14' ' ' LEU . 69.9 m95 -61.38 -44.36 97.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 28.9 tttm -53.45 -46.62 69.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 94.5 m -72.49 -43.91 63.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.147 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.54 -31.12 71.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 42.9 mt -84.85 -54.34 4.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.417 ' HG2' HD12 ' A' ' 61' ' ' ILE . 10.2 mmt -47.23 -36.49 9.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.64 -67.92 0.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -46.58 -38.91 10.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.084 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.83 -39.36 77.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.4 t -117.61 43.26 2.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 15.6 m -153.86 104.93 2.48 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.562 0.696 . . . . 0.0 111.191 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.337 179.935 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.4 tp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.803 0.335 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.405 HG23 HD23 ' A' ' 33' ' ' LEU . 77.2 t -101.68 -57.04 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.3 ttm-85 -153.84 160.15 42.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -131.18 -119.04 2.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 77.57 -178.97 51.38 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 39.2 m95 -113.45 154.04 27.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.739 0.304 . . . . 0.0 110.94 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.47 HD11 ' NE1' ' A' ' 105' ' ' TRP . 93.7 mt -149.99 145.07 26.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.948 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.542 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 95.9 m95 -81.43 123.64 28.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.3 ttt85 -109.5 141.13 42.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.8 mtt-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.771 0.319 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -79.7 145.21 33.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -146.81 137.57 23.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.542 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 21.5 mtp180 -70.14 129.79 40.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -143.16 150.45 39.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -101.91 101.88 12.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.641 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 33.2 m-85 -91.79 141.08 29.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.65 124.97 12.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.523 HD12 ' O ' ' A' ' 36' ' ' THR . 16.1 tp -91.91 135.9 33.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -106.11 146.48 30.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.405 HD23 HG23 ' A' ' 9' ' ' VAL . 3.1 mt -55.01 -35.08 64.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -50.3 -18.41 0.61 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.59 30.29 7.74 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.523 ' O ' HD12 ' A' ' 31' ' ' LEU . 16.3 p -124.34 163.17 22.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.827 0.346 . . . . 0.0 111.144 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.458 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 7.5 tp -130.29 117.9 20.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.37 139.92 13.03 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.443 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.431 ' CZ ' ' HB2' ' A' ' 50' ' ' ASP . 19.5 p90 -124.77 115.59 20.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.893 0.378 . . . . 0.0 110.959 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.514 ' CD2' ' HA ' ' A' ' 45' ' ' ALA . 5.7 m-85 -102.61 176.18 5.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.951 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -66.84 -47.68 71.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 43' ' ' GLU . 10.5 p-10 -151.85 -175.97 5.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 42' ' ' ASP . 8.5 tm-20 -34.99 -41.73 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.4 p -67.16 98.81 0.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.514 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . . . -82.4 44.67 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -99.65 -30.84 11.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 48' ' ' GLU . 4.3 t0 -87.85 43.72 1.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 47' ' ' ASP . 30.0 tt0 -35.81 102.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -75.42 -55.31 5.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.431 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 3.9 m-20 -159.2 176.18 12.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 51' ' ' ARG . 14.6 ttp-105 -154.92 118.98 4.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.1 m -107.31 159.94 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.0 t -86.35 139.58 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.458 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 19.8 mm -108.61 -39.2 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -60.39 120.82 10.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 38.32 47.03 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -126.05 -32.25 2.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 77.3 t -71.22 119.93 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -82.52 -42.68 18.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -162.84 168.81 20.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 77.4 mt -146.71 120.84 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -104.68 145.12 30.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.8 t -143.7 137.21 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.44 -132.56 32.69 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.481 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 67' ' ' CYS . 14.1 pt20 -50.22 -39.82 45.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.73 0.3 . . . . 0.0 110.881 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 65' ' ' GLN . 10.8 mt-10 -34.76 -33.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 65' ' ' GLN . 20.2 p . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.23 0.125 0 CA-C-O 121.565 0.569 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 74' ' ' GLU . 53.2 Cg_endo -69.78 151.83 69.04 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.641 2.227 . . . . 0.0 112.365 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 73' ' ' PRO . 4.2 tp10 -37.57 120.61 0.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.79 -58.18 0.63 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.467 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -52.72 173.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.353 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.2 t -115.91 165.12 13.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.2 mtp180 -74.76 -4.71 39.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.57 -22.58 28.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -82.25 -12.17 81.12 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.524 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.2 mp -54.17 147.39 13.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 tp -158.8 112.72 2.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 96.9 m -115.05 115.69 27.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.182 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 44.8 t -94.53 146.19 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.095 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -116.18 134.51 54.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 37.8 mt -107.13 156.43 18.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -78.69 -23.56 45.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -62.47 -52.62 62.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 143.09 52.83 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -174.64 139.22 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 0.0 110.859 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -103.5 171.44 7.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.0 mt -126.32 102.29 7.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -79.38 98.29 6.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.804 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.641 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 10.0 mt -118.37 176.87 5.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 45.7 t -155.89 126.93 7.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.422 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -93.67 173.18 7.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -74.98 -46.71 33.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.6 p -132.2 143.26 49.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.435 ' NH1' ' OD1' ' A' ' 100' ' ' ASP . 0.0 OUTLIER -40.9 -27.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.435 ' OD1' ' NH1' ' A' ' 99' ' ' ARG . 2.7 m-20 -59.28 -66.0 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.422 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 2.6 t70 -50.05 -49.44 51.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.38 -46.39 37.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.162 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 60.6 mt -69.67 -37.46 74.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.56 -43.13 68.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.47 ' NE1' HD11 ' A' ' 14' ' ' LEU . 68.5 m95 -67.69 -44.0 78.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 37.2 tttt -51.1 -43.18 61.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 91.4 m -73.06 -43.61 61.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.04 -29.87 70.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.04 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 54.9 mt -85.49 -48.99 8.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 19.8 mmt -55.13 -42.01 72.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -65.89 -64.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.13 -37.94 23.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.103 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -64.19 -40.87 97.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.3 t -115.7 45.52 1.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 96.9 m -165.71 105.04 0.73 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.54 0.686 . . . . 0.0 111.147 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--N 1.341 0.152 0 C-N-CA 122.655 2.236 . . . . 0.0 112.314 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 tp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.857 0.361 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.6 t -91.29 -61.64 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -151.54 155.28 38.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -135.2 136.24 8.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.509 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -173.15 142.24 6.58 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.44 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -68.74 133.7 48.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.795 0.331 . . . . 0.0 110.934 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.437 HD11 ' NE1' ' A' ' 105' ' ' TRP . 66.7 mt -131.13 143.48 50.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.516 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 73.7 m95 -84.24 121.07 26.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.4 ttt-85 -118.57 144.31 46.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.917 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.8 ttt180 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.76 0.314 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -89.07 142.57 27.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -144.25 141.23 29.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.516 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 9.2 mtt180 -73.79 138.12 44.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -151.53 139.47 20.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -88.39 103.53 15.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.566 ' CE2' ' CD2' ' A' ' 39' ' ' TYR . 30.9 m-85 -90.81 122.26 33.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.61 139.14 54.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.127 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 31.3 tp -106.6 133.69 50.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -103.84 148.96 25.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mt -59.33 -27.64 66.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -59.26 -15.56 16.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.75 35.52 6.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.519 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.2 p -127.97 145.31 51.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.816 0.341 . . . . 0.0 111.156 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.64 ' HB2' HD11 ' A' ' 54' ' ' ILE . 11.2 tp -110.64 117.69 34.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.52 127.18 5.17 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.46 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.566 ' CD2' ' CE2' ' A' ' 29' ' ' PHE . 11.8 p90 -110.82 150.86 28.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.893 0.378 . . . . 0.0 110.925 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.574 ' CD2' ' HA ' ' A' ' 48' ' ' GLU . 2.4 m-85 -136.49 174.92 10.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -77.52 -31.38 53.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 44' ' ' THR . 33.6 t0 -162.55 179.6 7.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -39.88 -27.12 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 42' ' ' ASP . 61.9 p -67.56 97.62 0.61 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.492 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . . . -70.69 -17.98 62.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -60.08 -13.91 14.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -103.93 45.18 0.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.574 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . 6.3 pt-20 -49.94 106.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -73.28 -35.72 66.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 5.1 t70 -174.85 174.27 2.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -155.62 119.65 4.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.461 HG22 ' HB3' ' A' ' 37' ' ' LEU . 22.6 m -115.3 164.87 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 63.1 t -90.01 136.04 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.64 HD11 ' HB2' ' A' ' 37' ' ' LEU . 32.6 mm -107.61 -43.24 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 56' ' ' PHE . 14.5 t60 -49.3 117.54 2.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.436 ' C ' ' O ' ' A' ' 55' ' ' HIS . 19.3 m-85 35.0 47.98 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -123.52 -24.47 4.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.64 HG11 HD11 ' A' ' 61' ' ' ILE . 60.0 t -75.51 106.65 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.084 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.429 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 4.6 tpt180 -73.73 -38.35 64.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 59' ' ' ARG . 18.7 m-20 -162.12 171.64 17.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.746 HD12 ' HG2' ' A' ' 110' ' ' MET . 83.5 mt -152.82 118.2 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.144 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -105.22 143.04 33.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.6 t -140.74 134.53 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . 61.45 -133.66 47.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.52 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 66' ' ' GLU . 45.8 tt0 -37.43 -50.14 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.735 0.302 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 65' ' ' GLN . 26.4 mt-10 -37.48 -51.21 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 81.9 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 121.544 0.56 . . . . 0.0 112.314 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 162.78 40.78 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.709 2.272 . . . . 0.0 112.301 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -66.54 131.24 45.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.51 -59.52 0.5 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.504 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -64.86 -178.98 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.792 0.33 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.1 m -123.46 164.69 18.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -56.25 -43.56 78.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -54.3 -16.94 2.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -77.23 -32.47 48.05 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 mp -46.24 151.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 110.948 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.7 tp -166.23 110.78 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.4 m -112.2 133.63 54.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 98.8 t -113.69 129.02 70.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -94.21 139.71 30.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.6 mt -117.87 145.23 44.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 88' ' ' GLU . 25.0 mtt180 -61.85 -45.15 95.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 87' ' ' ARG . 9.9 pt-20 -36.67 -47.1 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 132.73 45.11 0.13 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.468 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 t -161.55 160.37 28.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 0.0 110.847 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.1 ptt-85 -117.43 164.15 15.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.9 mt -121.92 107.46 12.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -82.69 110.65 17.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.821 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 16.2 mt -130.76 167.82 18.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.477 ' N ' ' O ' ' A' ' 15' ' ' TRP . 2.7 t -150.61 123.24 8.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -86.73 -176.94 5.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.464 ' HG2' ' N ' ' A' ' 98' ' ' THR . 24.4 pm0 -96.72 -32.66 12.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.464 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 80.5 p -135.1 151.76 51.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.165 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 30.0 ptt180 -55.82 -41.62 74.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -55.76 -51.82 66.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.77 -51.15 70.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.55 -52.35 23.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.132 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 85.9 mt -59.09 -40.76 81.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.175 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.49 -47.45 66.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.102 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.437 ' NE1' HD11 ' A' ' 14' ' ' LEU . 32.0 m95 -60.87 -47.13 87.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -50.03 -40.86 46.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 87.2 m -73.61 -44.97 55.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.2 -29.41 70.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 44.4 mt -85.41 -51.91 6.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.746 ' HG2' HD12 ' A' ' 61' ' ' ILE . 8.6 mmt -57.34 -32.6 66.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -68.77 -67.6 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.16 -28.56 7.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.162 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -65.42 -43.53 90.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 67.1 m -114.01 42.72 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.821 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 13.4 m -157.36 105.08 1.85 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.588 0.708 . . . . 0.0 111.138 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.201 0 C-N-CA 122.689 2.259 . . . . 0.0 112.306 179.943 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.769 HD11 ' HB1' ' A' ' 30' ' ' ALA . 25.5 tp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.835 0.35 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 36.7 t -99.58 -60.75 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 10' ' ' ARG . 3.4 ptp180 -150.24 173.65 13.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.42 -147.45 4.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.24 159.77 10.96 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 53.2 m95 -101.03 140.99 34.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.767 0.318 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.466 HD11 ' NE1' ' A' ' 105' ' ' TRP . 24.1 mt -139.11 143.66 38.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.553 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 86.6 m95 -84.65 115.56 22.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.448 ' HB2' ' CD2' ' A' ' 94' ' ' LEU . 16.8 ttp85 -108.2 139.73 42.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.1 mtm180 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.809 0.338 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.512 ' CG ' ' HB3' ' A' ' 73' ' ' PRO . 98.8 m95 -68.19 144.09 55.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -143.43 145.82 32.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.553 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 28.0 mtm180 -76.08 124.3 27.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -140.22 132.09 27.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 46.6 t90 -91.91 104.79 17.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -95.3 137.8 33.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.769 ' HB1' HD11 ' A' ' 8' ' ' LEU . . . -138.86 143.84 38.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.053 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.424 HD12 ' O ' ' A' ' 36' ' ' THR . 52.7 tp -96.51 148.04 23.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.95 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -116.39 156.17 27.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mt -66.12 -20.29 66.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -83.92 20.13 1.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 57.28 58.32 15.17 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.498 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.424 ' O ' HD12 ' A' ' 31' ' ' LEU . 19.1 p -145.08 153.69 41.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 0.0 111.115 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.454 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 11.5 tp -122.68 107.0 11.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.6 129.63 8.53 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.47 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -115.69 145.45 42.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.926 0.393 . . . . 0.0 110.912 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.522 ' CD2' ' HA ' ' A' ' 48' ' ' GLU . 1.2 m-85 -125.42 173.03 9.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.946 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 -63.23 -45.81 89.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -134.6 168.72 18.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -44.56 -39.5 4.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 46' ' ' GLN . 77.4 p -65.3 88.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.123 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.47 82.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 44' ' ' THR . 37.4 mt-30 -124.04 -47.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.61 73.01 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.522 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . 7.3 pt-20 -55.01 114.66 1.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -68.8 -48.12 64.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -166.32 175.95 7.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 37.9 ttp180 -144.82 122.83 12.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.4 m -119.75 126.07 74.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.9 t -57.39 140.97 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.454 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 17.1 mm -109.79 -39.68 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -58.14 122.46 13.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 37.51 41.05 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -117.6 -37.49 3.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.4 t -67.17 122.6 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.146 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.3 ttt85 -85.41 -35.65 21.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -171.5 160.86 6.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.8 mt -141.38 127.22 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.472 ' CE ' ' HB3' ' A' ' 66' ' ' GLU . 2.9 mmmm -110.39 162.65 14.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 51.1 t -149.23 149.57 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.73 -133.95 52.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 67' ' ' CYS . 44.6 tt0 -47.99 -50.07 28.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.802 0.334 . . . . 0.0 110.941 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.472 ' HB3' ' CE ' ' A' ' 62' ' ' LYS . 19.0 mt-10 -39.76 -25.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.842 ' SG ' HD23 ' A' ' 81' ' ' LEU . 31.6 p . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 121.609 0.587 . . . . 0.0 112.321 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.512 ' HB3' ' CG ' ' A' ' 24' ' ' TRP . 54.1 Cg_endo -69.74 146.5 60.48 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.374 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -40.71 127.57 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.27 -63.11 0.54 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.435 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -55.98 174.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.782 0.325 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 74.8 m -110.38 174.7 5.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.7 mtm-85 -77.56 -33.4 54.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.02 -9.32 37.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -83.14 -20.77 60.14 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.506 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.842 HD23 ' SG ' ' A' ' 67' ' ' CYS . 1.8 mp -50.98 145.71 7.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.93 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 tp -161.71 110.39 1.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.1 m -112.26 144.37 41.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 46.5 t -124.39 136.35 60.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.165 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -102.24 136.06 42.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 70.4 mt -104.86 141.78 35.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -62.38 -31.0 71.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -55.85 -46.34 78.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 134.89 54.34 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.499 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 51.0 m -161.78 165.3 28.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.892 0.377 . . . . 0.0 110.799 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -123.99 158.45 32.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.849 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.0 mt -125.54 101.59 6.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -81.12 117.58 21.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.82 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.448 ' CD2' ' HB2' ' A' ' 16' ' ' ARG . 63.3 mt -137.07 163.61 30.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 37.4 t -148.05 126.01 12.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.812 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.75 173.14 7.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 98' ' ' THR . 17.6 pt-20 -76.24 -46.82 26.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.443 ' N ' ' HG3' ' A' ' 97' ' ' GLU . 82.5 p -124.8 165.04 18.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -69.11 -12.06 61.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -75.9 -54.03 7.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.99 -37.92 77.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.47 -51.43 69.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 80.3 mt -59.04 -46.35 91.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.1 -44.4 52.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.466 ' NE1' HD11 ' A' ' 14' ' ' LEU . 14.8 m95 -68.31 -44.19 75.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.959 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.5 tttm -57.14 -42.26 80.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 95.0 m -74.44 -45.99 42.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.85 -30.19 70.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.404 HD22 HD12 ' A' ' 54' ' ' ILE . 61.1 mt -85.05 -55.96 3.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 10.5 mmt -50.92 -33.21 23.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -73.02 -64.17 1.02 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.15 -33.26 11.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.077 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -67.91 -35.62 78.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 92.2 p -117.91 37.47 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 7.0 m -152.58 105.01 2.72 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.602 0.715 . . . . 0.0 111.155 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.168 0 C-N-CA 122.709 2.273 . . . . 0.0 112.344 179.951 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.473 HD23 ' N ' ' A' ' 9' ' ' VAL . 3.2 tt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.87 0.367 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.473 ' N ' HD23 ' A' ' 8' ' ' LEU . 89.6 t -85.23 -56.83 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.2 ttm-85 -165.41 148.19 7.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.553 ' HA3' ' CZ2' ' A' ' 28' ' ' TRP . . . -143.62 137.31 7.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.484 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.26 149.02 17.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.495 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 49.0 m95 -68.87 142.57 54.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.814 0.34 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.742 HD11 ' NE1' ' A' ' 105' ' ' TRP . 33.6 mt -151.29 139.51 20.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.539 ' CH2' ' CD ' ' A' ' 26' ' ' ARG . 99.1 m95 -74.83 123.34 24.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.9 ttp85 -119.1 139.3 52.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.425 ' NE2' ' CZ2' ' A' ' 24' ' ' TRP . 17.5 mt-30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.806 0.336 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.425 ' CZ2' ' NE2' ' A' ' 17' ' ' GLN . 98.6 m95 -74.92 131.78 40.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -125.42 150.28 47.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.539 ' CD ' ' CH2' ' A' ' 15' ' ' TRP . 36.4 mtm180 -92.28 119.57 31.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -139.46 169.91 16.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.553 ' CZ2' ' HA3' ' A' ' 11' ' ' GLY . 13.2 t-105 -113.74 117.54 31.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -107.3 130.67 54.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.47 136.42 36.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.071 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 30.3 tp -95.11 146.7 24.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -112.27 163.92 13.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mt -71.82 -20.96 61.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -80.22 11.28 3.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.41 55.57 22.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.9 p -141.2 136.65 31.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.841 0.353 . . . . 0.0 111.152 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.541 ' HB2' HD11 ' A' ' 54' ' ' ILE . 8.5 tp -107.16 107.6 18.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.83 141.46 16.0 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.505 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -123.37 141.15 52.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.925 0.393 . . . . 0.0 110.911 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.48 ' N ' ' CD1' ' A' ' 40' ' ' TYR . 1.4 m-85 -124.06 159.6 29.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -56.99 -45.38 83.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -104.39 163.07 12.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -50.0 -38.21 36.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.93 -178.89 6.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.161 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -106.65 95.93 6.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -125.39 -46.02 1.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.82 74.24 0.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -40.36 132.37 2.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -103.37 -54.85 2.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -164.58 175.16 10.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.7 ttm105 -154.87 121.3 5.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.7 m -113.79 128.65 70.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.174 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.7 t -57.03 137.3 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.541 HD11 ' HB2' ' A' ' 37' ' ' LEU . 23.1 mm -107.38 -38.94 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 56' ' ' PHE . 8.6 t-80 -46.84 116.8 1.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 55' ' ' HIS . 86.7 m-85 36.66 41.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -126.81 16.57 7.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 69.6 t -111.12 102.92 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -59.66 -60.52 3.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -161.63 144.78 12.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.496 HG12 HG13 ' A' ' 84' ' ' VAL . 86.0 mt -116.76 121.61 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.444 ' HB3' ' CB ' ' A' ' 66' ' ' GLU . 76.8 mttt -102.74 155.39 18.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.6 t -149.06 132.97 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.099 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.57 -125.05 9.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 66' ' ' GLU . 27.9 mt-30 -58.95 -47.24 85.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.725 0.297 . . . . 0.0 110.917 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.444 ' CB ' ' HB3' ' A' ' 62' ' ' LYS . 41.6 mt-10 -35.21 -45.14 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.9 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 121.599 0.583 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -163.69 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.335 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -77.01 130.82 37.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.839 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.28 -55.01 3.21 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.454 ' N ' ' CD ' ' A' ' 76' ' ' ARG . 5.5 mpt_? -60.56 175.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.809 0.338 . . . . 0.0 110.889 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 t -135.68 -178.31 5.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.1 mmm-85 -75.06 -1.0 20.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -102.07 15.76 28.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.805 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -124.97 -22.72 1.91 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.2 mp -46.39 153.39 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.825 0.345 . . . . 0.0 110.935 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.5 tp -164.15 112.64 1.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 88.5 m -117.64 137.58 52.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.496 HG13 HG12 ' A' ' 61' ' ' ILE . 47.2 t -116.99 149.87 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -120.04 130.08 54.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.8 mt -105.17 149.9 25.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 34.8 mtt180 -71.97 -26.97 62.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -60.79 -15.39 29.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.74 53.46 0.98 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.518 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 m -168.02 146.61 4.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.889 0.376 . . . . 0.0 110.853 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.4 mtm180 -115.2 170.69 8.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.803 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.0 mt -132.27 103.3 6.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -79.2 97.28 6.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.2 mt -114.57 164.84 13.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 8.8 t -147.72 121.57 9.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -88.0 175.88 7.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.457 ' HG2' ' N ' ' A' ' 98' ' ' THR . 0.8 OUTLIER -90.06 -31.79 17.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.457 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 77.1 p -137.42 160.34 39.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.147 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -62.37 -41.21 98.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.836 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -55.45 -53.45 56.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.67 -46.43 81.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.62 -57.39 10.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 46.7 mt -49.23 -45.63 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -47.97 -54.49 12.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.742 ' NE1' HD11 ' A' ' 14' ' ' LEU . 24.8 m95 -56.37 -45.69 80.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 66.5 tttt -53.02 -46.98 68.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 37.5 m -72.03 -39.0 69.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.165 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.66 -31.44 72.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 53.5 mt -88.62 -47.63 8.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 8.2 mmt -56.33 -38.6 71.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -66.03 -62.31 1.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.48 -42.25 64.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.107 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.02 -33.17 70.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.865 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 48.5 m -121.7 44.48 2.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 92.7 m -166.16 111.48 0.73 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.549 0.69 . . . . 0.0 111.143 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.147 0 C-N-CA 122.691 2.261 . . . . 0.0 112.352 179.935 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.442 HD23 ' N ' ' A' ' 9' ' ' VAL . 4.6 tt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.833 0.349 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.442 ' N ' HD23 ' A' ' 8' ' ' LEU . 87.5 t -97.57 -61.88 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.8 tpm_? -135.91 144.57 45.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -150.23 107.45 0.35 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.532 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -147.94 161.87 28.64 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.445 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 58.3 m95 -80.5 133.15 35.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.783 0.325 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.668 HD11 ' NE1' ' A' ' 105' ' ' TRP . 25.7 mt -140.72 139.34 34.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.554 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 94.3 m95 -76.02 119.13 19.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.465 ' HB2' HD23 ' A' ' 94' ' ' LEU . 24.8 ttp85 -110.36 149.18 30.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.911 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.816 0.341 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.521 ' CH2' ' SG ' ' A' ' 95' ' ' CYS . 99.8 m95 -78.71 147.67 33.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.423 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -154.39 143.31 21.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.554 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 37.0 mtt180 -75.45 122.98 24.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -134.66 155.29 50.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.431 ' CE3' ' HA ' ' A' ' 43' ' ' GLU . 37.2 t90 -106.74 106.13 16.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' A' ' 39' ' ' TYR . 33.6 m-85 -96.3 141.1 30.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.428 ' HB1' HD11 ' A' ' 8' ' ' LEU . . . -143.25 127.96 18.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.108 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.428 ' CD1' HG13 ' A' ' 54' ' ' ILE . 17.8 tp -91.73 138.48 31.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 62.3 m95 -105.21 164.23 11.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 mt -76.87 -33.23 57.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.2 p30 -55.78 -22.8 26.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.01 40.82 2.38 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.453 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.4 p -133.68 155.72 49.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.368 . . . . 0.0 111.111 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.553 HD22 HD11 ' A' ' 54' ' ' ILE . 12.7 tp -125.9 116.74 21.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.77 139.01 11.45 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.493 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.573 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 28.3 p90 -122.49 118.14 27.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.903 0.383 . . . . 0.0 110.871 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.515 ' CG ' ' HA ' ' A' ' 45' ' ' ALA . 5.7 m-85 -109.68 168.1 9.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -55.79 -54.87 39.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.806 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -124.61 177.23 6.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.431 ' HA ' ' CE3' ' A' ' 28' ' ' TRP . 1.2 pm0 -61.7 -21.68 64.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.2 p -59.03 -24.59 62.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.169 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.515 ' HA ' ' CG ' ' A' ' 40' ' ' TYR . . . 52.84 43.76 31.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.075 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -84.95 -53.14 5.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -90.78 104.71 17.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.48 ' HG3' ' CE2' ' A' ' 40' ' ' TYR . 10.7 tt0 -78.05 100.6 6.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -67.48 -49.92 61.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -169.56 172.12 7.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 51' ' ' ARG . 17.3 ttp-105 -146.76 125.07 12.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.851 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.48 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 27.3 m -117.16 126.03 74.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.5 t -59.84 139.66 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.082 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.553 HD11 HD22 ' A' ' 37' ' ' LEU . 22.4 mm -107.09 -41.23 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 56' ' ' PHE . 19.4 t-80 -43.17 108.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 55' ' ' HIS . 64.9 m-85 36.84 47.99 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -124.92 11.34 8.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 70.5 t -101.18 134.85 40.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -98.39 -35.96 10.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -174.54 158.83 2.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.491 HD12 ' HG2' ' A' ' 110' ' ' MET . 97.1 mt -141.6 118.19 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -107.05 140.25 40.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.478 HG22 ' CD1' ' A' ' 82' ' ' LEU . 90.0 t -131.26 135.33 59.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.92 -133.89 43.56 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 66' ' ' GLU . 22.8 pt20 -42.9 -46.89 5.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.317 . . . . 0.0 110.857 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.423 ' N ' ' HG3' ' A' ' 65' ' ' GLN . 25.8 mt-10 -40.03 -50.58 2.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 36.1 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 -179.919 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.48 ' HB3' HD11 ' A' ' 81' ' ' LEU . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 121.552 0.563 . . . . 0.0 112.392 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.421 ' HB3' ' CG ' ' A' ' 24' ' ' TRP . 53.5 Cg_endo -69.76 165.88 29.48 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.361 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -57.1 133.34 54.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.75 -62.71 1.6 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.447 ' HD2' ' N ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -51.52 -174.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 110.849 -179.852 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.8 m -131.25 166.23 21.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -60.19 -47.58 85.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -57.56 -31.59 66.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -59.47 -34.13 79.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.56 HD12 ' SG ' ' A' ' 95' ' ' CYS . 4.3 mp -39.04 146.52 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.863 0.363 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.478 ' CD1' HG22 ' A' ' 63' ' ' VAL . 7.0 tp -162.67 110.97 1.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 98.8 m -116.09 132.61 56.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 48.0 t -109.61 139.9 30.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -112.25 137.88 49.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 88.0 mt -103.26 139.52 38.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -49.53 -29.73 7.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 89' ' ' GLY . 16.4 pt-20 -65.63 -46.12 80.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.443 ' N ' ' HG3' ' A' ' 88' ' ' GLU . . . 150.42 -52.17 0.52 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 75.4 p -56.85 143.21 38.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 110.854 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -114.44 177.36 4.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.6 mt -133.36 125.04 28.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -96.91 110.09 22.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.819 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.465 HD23 ' HB2' ' A' ' 16' ' ' ARG . 12.2 mt -133.93 160.65 37.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.56 ' SG ' HD12 ' A' ' 81' ' ' LEU . 22.1 m -138.03 148.58 45.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -118.63 166.15 13.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -67.29 -50.44 60.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 82.3 p -133.71 166.98 21.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -62.31 -40.01 94.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.04 -58.25 7.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.92 -40.91 85.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.66 -50.47 73.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 29.9 mt -54.3 -41.9 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.74 -44.13 58.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.668 ' NE1' HD11 ' A' ' 14' ' ' LEU . 27.4 m95 -64.7 -46.1 83.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.426 ' HG3' ' CG2' ' A' ' 61' ' ' ILE . 35.0 tttt -53.18 -43.48 67.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 90.6 m -74.04 -43.77 56.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.137 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.67 -32.29 71.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.11 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 65.9 mt -84.97 -50.73 7.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.491 ' HG2' HD12 ' A' ' 61' ' ' ILE . 8.5 mmt -54.94 -43.97 73.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -56.42 -64.14 0.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.12 -41.23 62.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.084 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -61.15 -34.69 75.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.5 p -117.39 35.11 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.427 ' HA ' ' HD2' ' A' ' 116' ' ' PRO . 54.3 m -151.22 104.95 2.96 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.537 0.684 . . . . 0.0 111.193 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 115' ' ' THR . 53.3 Cg_endo . . . . . 0 C--N 1.341 0.159 0 C-N-CA 122.686 2.258 . . . . 0.0 112.307 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.416 HD13 ' HB1' ' A' ' 30' ' ' ALA . 39.3 tp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.847 0.356 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.415 HG11 HD23 ' A' ' 31' ' ' LEU . 98.5 t -98.09 -57.85 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.5 ttt85 -166.9 148.67 6.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -125.71 -159.93 10.47 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.443 ' N ' ' CZ3' ' A' ' 28' ' ' TRP . . . 133.31 126.72 2.71 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.551 ' CH2' ' HA ' ' A' ' 42' ' ' ASP . 72.2 m95 -63.95 133.22 52.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.816 0.341 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.724 HD11 ' NE1' ' A' ' 105' ' ' TRP . 18.1 mt -136.93 141.96 42.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.563 ' CZ3' ' HG3' ' A' ' 26' ' ' ARG . 87.6 m95 -76.59 116.48 17.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.8 ttt85 -109.49 134.59 51.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.5 ttt-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.84 0.352 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -77.09 139.76 40.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.3 pttt -136.2 143.02 44.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.563 ' HG3' ' CZ3' ' A' ' 15' ' ' TRP . 1.7 mtp-105 -74.42 126.68 31.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -142.94 131.45 22.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.443 ' CZ3' ' N ' ' A' ' 12' ' ' GLY . 24.6 t-105 -90.99 104.52 17.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.537 ' CD2' ' HB3' ' A' ' 39' ' ' TYR . 26.3 m-85 -90.39 139.65 30.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.416 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -140.85 125.44 17.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.461 HD13 HG13 ' A' ' 54' ' ' ILE . 19.9 tp -91.79 134.35 34.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 76.2 m95 -102.35 153.23 20.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.481 ' N ' HD23 ' A' ' 33' ' ' LEU . 2.8 mt -62.08 -33.82 75.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -53.11 -22.08 5.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.86 38.7 3.32 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.455 ' O ' HD12 ' A' ' 31' ' ' LEU . 33.2 p -132.23 158.94 40.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 111.142 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.477 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 13.3 tp -127.1 118.31 24.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.91 137.33 9.54 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.482 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.537 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 34.2 p90 -120.86 117.15 26.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.897 0.38 . . . . 0.0 110.92 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.739 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 3.5 m-85 -98.76 173.66 6.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.604 ' CE1' ' OD1' ' A' ' 42' ' ' ASP . 3.1 p-80 -57.65 -40.78 80.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.604 ' OD1' ' CE1' ' A' ' 41' ' ' HIS . 21.1 p30 -144.11 178.5 7.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -44.7 -52.64 8.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.3 p -65.74 93.79 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.739 ' HB1' ' CE2' ' A' ' 40' ' ' TYR . . . -56.98 95.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -123.78 -43.69 2.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -101.2 84.42 2.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -58.38 93.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -66.51 -47.11 74.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -168.83 175.74 5.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 21.4 ttp180 -152.37 118.9 5.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.459 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 35.9 m -112.85 129.64 68.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 98.6 t -62.7 139.89 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.477 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 19.4 mm -107.35 -41.31 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.431 ' O ' ' C ' ' A' ' 56' ' ' PHE . 18.4 t-80 -41.85 114.01 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 55' ' ' HIS . 63.6 m-85 35.69 43.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -121.64 15.64 11.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.8 t -106.96 119.61 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.8 ttt180 -85.47 -48.48 8.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -157.62 167.84 28.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.529 HD12 ' HG2' ' A' ' 110' ' ' MET . 98.2 mt -149.68 111.19 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -103.43 144.02 31.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.4 t -136.9 131.93 47.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.11 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.83 -122.32 11.69 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.479 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 66' ' ' GLU . 25.0 mt-30 -57.57 -49.68 75.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.746 0.308 . . . . 0.0 110.927 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 65' ' ' GLN . 29.8 mt-10 -34.29 -45.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.7 t . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.882 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 121.594 0.581 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 179.77 3.5 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.683 2.256 . . . . 0.0 112.329 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -70.15 134.2 47.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.56 -64.54 1.85 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.529 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -58.08 172.1 0.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.346 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.2 m -119.62 164.91 15.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -57.23 -48.59 78.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.3 -31.08 2.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.26 -36.12 92.99 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.0 mp -39.02 146.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.5 tp -163.13 110.37 1.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 85.0 m -118.06 137.5 52.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.505 HG21 ' CD1' ' A' ' 109' ' ' LEU . 58.6 t -116.52 133.11 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -99.28 137.32 37.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 89.5 mt -109.84 145.88 36.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 88' ' ' GLU . 14.1 mmm180 -57.8 -50.57 72.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 87' ' ' ARG . 9.5 pt-20 -36.79 -46.17 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 129.86 51.64 0.11 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.2 t -159.2 146.85 17.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.886 0.374 . . . . 0.0 110.795 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.3 ptt-85 -109.46 157.18 19.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.5 mt -117.42 106.0 12.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.416 ' O ' HD23 ' A' ' 94' ' ' LEU . 67.1 m-70 -78.21 120.94 23.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.486 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 27.8 mt -147.04 160.14 42.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 37.6 t -148.18 124.95 11.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.05 178.6 5.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -75.72 -35.72 60.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 77.5 p -146.4 175.85 10.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 100' ' ' ASP . 23.2 ptt180 -67.94 -42.41 81.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.453 ' N ' ' HG3' ' A' ' 99' ' ' ARG . 0.3 OUTLIER -47.93 -59.34 3.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.13 -42.31 76.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.33 -50.19 74.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 74.9 mt -52.44 -46.69 47.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -47.12 -49.45 22.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.04 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.724 ' NE1' HD11 ' A' ' 14' ' ' LEU . 33.5 m95 -61.9 -46.54 88.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.6 tttm -51.23 -43.47 61.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.935 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 88.4 m -73.09 -41.06 64.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.15 -32.16 72.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.057 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.505 ' CD1' HG21 ' A' ' 84' ' ' VAL . 37.5 mt -85.71 -44.53 12.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.529 ' HG2' HD12 ' A' ' 61' ' ' ILE . 12.6 mmt -62.82 -37.34 86.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -64.61 -64.61 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.07 -36.95 31.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.01 -37.36 78.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 59.8 p -111.87 32.81 5.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.427 ' HA ' ' HD2' ' A' ' 116' ' ' PRO . 98.9 m -151.79 105.01 2.86 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.571 0.7 . . . . 0.0 111.124 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 115' ' ' THR . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.373 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.42 ' CD1' ' HB1' ' A' ' 30' ' ' ALA . 8.9 tp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.856 0.36 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.42 ' CB ' HD23 ' A' ' 31' ' ' LEU . 91.6 t -100.21 -59.25 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.687 ' NH1' ' HB1' ' A' ' 104' ' ' ALA . 40.2 ttt180 -151.31 160.88 43.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -149.06 150.86 23.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.65 126.43 0.86 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 79.1 m95 -53.67 132.91 41.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.82 0.343 . . . . 0.0 110.907 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.5 mt -133.1 154.3 50.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -93.24 116.96 29.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.418 ' HB2' ' CD2' ' A' ' 94' ' ' LEU . 37.7 ttp85 -111.38 134.33 53.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.907 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.803 0.335 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -64.08 143.56 57.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.44 153.12 46.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -81.03 133.91 35.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -153.58 141.29 20.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.455 ' CE3' ' HA ' ' A' ' 43' ' ' GLU . 49.3 t90 -96.48 101.69 13.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.414 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 44.7 m-85 -84.03 126.51 33.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.446 ' HB2' ' CZ3' ' A' ' 28' ' ' TRP . . . -127.89 125.14 39.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.106 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.42 HD23 ' CB ' ' A' ' 9' ' ' VAL . 25.0 tp -93.71 135.85 34.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -105.38 138.18 41.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.425 ' N ' HD23 ' A' ' 33' ' ' LEU . 3.0 mt -52.29 -24.61 7.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -61.68 -8.65 4.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.53 34.81 11.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.6 p -130.77 151.17 51.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.841 0.353 . . . . 0.0 111.173 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.626 ' HB2' HD11 ' A' ' 54' ' ' ILE . 10.2 tp -119.36 116.82 26.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.14 133.69 8.32 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.534 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -119.04 120.81 38.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.901 0.381 . . . . 0.0 110.933 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.424 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . 3.5 m-85 -109.44 171.06 7.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -55.91 -52.24 64.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -129.09 173.29 10.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.455 ' HA ' ' CE3' ' A' ' 28' ' ' TRP . 24.8 mt-10 -53.26 -42.26 66.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.4 p -44.71 -37.74 3.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.424 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . . . 62.91 48.9 3.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -85.33 -36.64 20.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -105.72 107.12 17.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -75.2 115.27 14.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -83.3 -59.58 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -159.56 169.37 23.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -141.98 119.56 11.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.439 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 27.1 m -112.84 131.69 63.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 66.9 t -65.22 137.51 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.626 HD11 ' HB2' ' A' ' 37' ' ' LEU . 29.7 mm -105.74 -41.55 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -54.93 120.13 6.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 38.32 47.56 1.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -124.73 -36.44 2.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.662 HG11 HD11 ' A' ' 61' ' ' ILE . 88.4 t -70.26 115.87 10.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -80.32 -46.55 15.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -154.96 163.76 39.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.662 HD11 HG11 ' A' ' 58' ' ' VAL . 97.0 mt -147.41 136.56 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.443 ' HB3' ' CB ' ' A' ' 66' ' ' GLU . 40.9 mttp -125.23 140.54 52.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.546 HG13 ' HB1' ' A' ' 102' ' ' ALA . 47.6 t -135.11 129.45 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.67 -130.33 20.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.476 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -44.98 -47.66 11.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.767 0.318 . . . . 0.0 110.934 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.443 ' CB ' ' HB3' ' A' ' 62' ' ' LYS . 22.0 mt-10 -40.09 -50.86 2.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 90.7 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.85 -179.932 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.479 ' HB3' HD11 ' A' ' 81' ' ' LEU . 54.6 Cg_endo . . . . . 0 C--O 1.231 0.135 0 CA-C-O 121.581 0.576 . . . . 0.0 112.35 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 170.1 17.41 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.698 2.265 . . . . 0.0 112.343 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -60.29 130.17 45.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.66 -57.42 1.34 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.506 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.456 ' HD2' ' N ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -51.11 -175.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 110.885 -179.894 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 62.5 m -125.29 169.45 12.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.1 mtt180 -72.29 -42.45 65.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.93 -33.21 72.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -55.7 -36.2 64.63 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.479 HD11 ' HB3' ' A' ' 72' ' ' PRO . 4.4 mp -38.79 142.84 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.823 0.344 . . . . 0.0 110.917 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.2 tp -152.39 116.07 4.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.2 m -118.12 123.17 44.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 57.7 t -106.35 142.55 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.134 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -112.92 130.23 56.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.5 mt -98.32 160.46 14.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -87.37 -18.36 30.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 89' ' ' GLY . 0.5 OUTLIER -68.99 -44.96 71.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.899 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.448 ' N ' ' OE1' ' A' ' 88' ' ' GLU . . . 139.01 57.48 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.442 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -172.66 163.55 5.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.884 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.9 ptp85 -128.01 161.19 29.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.9 mt -120.99 123.75 43.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -99.35 109.72 22.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.418 ' CD2' ' HB2' ' A' ' 16' ' ' ARG . 32.7 mt -132.16 172.02 12.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 52.8 t -150.31 126.25 10.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.622 ' HB3' ' HB2' ' A' ' 102' ' ' ALA . . . -95.83 153.65 17.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -47.4 -55.94 7.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 68.5 p -132.32 173.99 10.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 -61.08 -39.97 91.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -54.69 -55.43 29.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.59 -46.14 89.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.622 ' HB2' ' HB3' ' A' ' 96' ' ' ALA . . . -54.8 -53.19 58.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.085 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 19.1 mt -52.13 -45.86 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.158 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.687 ' HB1' ' NH1' ' A' ' 10' ' ' ARG . . . -46.2 -61.93 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 38.6 m95 -51.7 -43.49 62.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.442 ' HG3' ' CG2' ' A' ' 61' ' ' ILE . 15.5 tttt -54.28 -46.01 72.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 53.0 m -72.43 -42.18 65.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.145 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.64 -32.92 72.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 60.7 mt -81.07 -51.17 8.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.547 ' HG2' HD12 ' A' ' 61' ' ' ILE . 6.6 mmt -54.4 -43.56 71.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -61.39 -66.97 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.23 -36.74 21.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.154 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -62.51 -40.38 96.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 65.8 m -115.52 49.42 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.84 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 98.4 m -166.79 112.05 0.68 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.602 0.715 . . . . 0.0 111.15 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.199 0 C-N-CA 122.703 2.269 . . . . 0.0 112.346 179.945 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.571 ' CD1' ' HB1' ' A' ' 30' ' ' ALA . 24.4 tp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.883 0.373 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.3 t -93.91 -59.5 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.101 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -158.95 147.54 18.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -120.13 -158.62 10.6 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 126.69 160.93 10.74 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.519 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 33.3 m95 -97.49 141.38 30.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 mt -143.32 143.84 31.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.962 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.428 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 75.7 m95 -74.12 118.13 16.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.7 ttp85 -108.99 134.22 51.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.931 -179.932 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.0 mtt-85 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.779 0.324 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.459 ' CH2' ' SG ' ' A' ' 95' ' ' CYS . 92.3 m95 -74.77 147.41 41.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -142.47 138.23 30.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.428 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 21.2 mtp180 -71.07 137.76 49.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.822 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -149.63 176.27 10.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.519 ' CG ' ' HA ' ' A' ' 43' ' ' GLU . 73.0 t90 -127.18 106.2 9.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.966 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -94.31 149.2 21.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.571 ' HB1' ' CD1' ' A' ' 8' ' ' LEU . . . -150.29 127.63 11.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 51.8 tp -92.14 136.99 32.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -109.23 147.96 31.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.0 mt -58.36 -24.33 59.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -67.41 -5.98 17.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.27 47.6 8.12 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.454 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.4 p -139.99 130.97 26.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 111.139 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.633 ' HB2' HD11 ' A' ' 54' ' ' ILE . 10.9 tp -99.19 107.55 19.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.57 128.63 7.54 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.462 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.508 ' CZ ' ' HB2' ' A' ' 50' ' ' ASP . 11.2 p90 -114.9 142.1 47.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.884 0.373 . . . . 0.0 110.939 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.491 ' CD2' ' HA ' ' A' ' 48' ' ' GLU . 3.2 m-85 -124.6 155.7 38.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.2 m80 -45.14 -59.68 2.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -100.83 -176.49 3.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.519 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 8.0 pt-20 -84.31 15.18 3.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.4 p -124.03 125.63 44.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.59 87.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -133.45 -46.49 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -113.74 86.04 2.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.491 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . 23.9 tt0 -56.85 123.21 14.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -94.61 -52.63 4.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.508 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 2.9 m-20 -165.83 171.31 12.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -155.35 128.41 8.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.7 m -120.72 141.81 39.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 92.9 t -66.32 137.35 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.633 HD11 ' HB2' ' A' ' 37' ' ' LEU . 27.7 mm -107.81 -42.51 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 56' ' ' PHE . 6.5 t-160 -51.66 121.63 6.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.877 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 55' ' ' HIS . 57.9 m-85 36.14 48.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -125.64 -29.93 3.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 40.8 t -69.41 112.81 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.4 ttt85 -80.2 -38.87 30.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -165.52 166.45 18.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.619 HD12 ' HG2' ' A' ' 110' ' ' MET . 79.9 mt -147.69 120.02 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -103.36 152.59 21.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.596 HG22 HD12 ' A' ' 82' ' ' LEU . 29.9 t -149.12 135.89 12.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.89 -144.65 40.27 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 66' ' ' GLU . 37.5 tp60 -42.32 -38.91 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.782 0.325 . . . . 0.0 110.918 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 65' ' ' GLN . 12.4 mt-10 -34.25 -36.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 65' ' ' GLN . 16.0 p . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.587 ' HB3' HD11 ' A' ' 81' ' ' LEU . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 121.543 0.559 . . . . 0.0 112.362 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.49 ' HG2' ' CG ' ' A' ' 76' ' ' ARG . 54.2 Cg_endo -69.72 153.72 68.77 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.707 2.272 . . . . 0.0 112.333 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -61.77 127.73 32.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.69 -48.28 1.03 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.526 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.49 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 7.5 mmt180 -68.92 -173.0 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.815 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.436 ' OG ' ' N ' ' A' ' 78' ' ' ARG . 1.5 t -118.6 174.78 6.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.436 ' N ' ' OG ' ' A' ' 77' ' ' SER . 38.8 mtm180 -85.24 -9.66 57.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -83.33 -14.15 53.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -87.06 -14.17 64.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.617 HD12 ' SG ' ' A' ' 95' ' ' CYS . 5.4 mp -55.91 124.97 19.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.837 0.351 . . . . 0.0 110.907 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.596 HD12 HG22 ' A' ' 63' ' ' VAL . 3.3 tp -137.87 122.25 18.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.9 m -120.72 134.52 55.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.104 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 48.1 t -118.53 138.61 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -107.76 134.66 50.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.3 mt -111.81 150.79 29.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.963 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -66.05 -32.9 74.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -58.11 -16.49 13.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.91 67.54 1.05 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.4 t -174.64 127.4 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.827 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.0 ptt-85 -93.63 153.01 18.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 mt -110.86 127.66 55.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -97.41 99.71 11.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.7 mt -128.43 161.17 30.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.963 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.617 ' SG ' HD12 ' A' ' 81' ' ' LEU . 11.8 m -144.57 145.18 31.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -113.32 171.85 7.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -72.03 -49.56 35.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 80.9 p -130.77 167.96 18.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.154 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -56.28 -43.15 78.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.59 -63.67 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.19 -48.68 34.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.03 -50.37 66.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 66.9 mt -62.45 -47.18 94.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -46.83 -49.27 20.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -61.37 -45.28 95.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -52.6 -39.23 61.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 67.6 m -72.89 -37.99 67.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.85 -27.08 63.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 20.6 mt -88.63 -45.42 9.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.619 ' HG2' HD12 ' A' ' 61' ' ' ILE . 11.0 mmt -63.14 -30.34 71.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -75.47 -64.17 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -51.72 -31.74 27.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.089 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.71 -40.24 80.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.2 t -115.13 44.72 1.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 98.4 m -163.36 106.6 0.98 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.584 0.707 . . . . 0.0 111.118 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.74 2.293 . . . . 0.0 112.349 179.918 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.1 tp . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.811 0.339 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 82.6 t -110.64 -58.1 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.5 ttt85 -152.95 161.55 42.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -150.35 -175.81 22.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.452 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 144.32 176.51 18.4 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -101.6 135.33 43.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.769 0.318 . . . . 0.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.561 HD11 ' NE1' ' A' ' 105' ' ' TRP . 9.9 mt -139.22 148.32 42.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.558 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 86.3 m95 -82.22 120.29 25.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.0 ttp85 -108.47 140.18 42.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.927 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.8 mtp180 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.8 0.333 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.446 ' CE2' ' HD3' ' A' ' 73' ' ' PRO . 95.8 m95 -77.59 145.49 36.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.31 140.22 30.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.558 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 37.8 mtm180 -74.36 132.44 42.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -149.43 150.75 32.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 24.2 t-105 -100.72 119.38 38.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -105.35 149.02 26.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.94 126.65 9.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.593 HD12 ' O ' ' A' ' 36' ' ' THR . 41.5 tp -92.8 133.73 35.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -102.35 146.31 28.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.955 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.0 mt -54.72 -29.46 53.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.37 -15.49 10.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.79 38.13 5.89 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.442 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.593 ' O ' HD12 ' A' ' 31' ' ' LEU . 7.2 p -131.69 161.6 32.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 111.125 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.459 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 13.4 tp -123.15 111.33 16.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.08 116.34 2.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -105.05 136.58 44.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.846 0.355 . . . . 0.0 110.91 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.534 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 1.0 OUTLIER -116.64 175.62 5.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.21 -49.42 69.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -146.74 -175.45 4.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -41.03 -39.64 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.9 p -68.63 102.45 1.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.534 ' HB1' ' CE2' ' A' ' 40' ' ' TYR . . . -78.48 49.6 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -106.28 -25.98 11.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 48' ' ' GLU . 9.0 m-20 -101.3 46.05 0.95 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 47' ' ' ASP . 40.0 tt0 -34.44 113.5 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.8 -54.08 6.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -165.63 -179.44 5.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -156.08 128.54 7.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.41 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 29.6 m -126.08 130.27 72.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.417 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 60.9 t -58.02 137.47 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.459 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 14.8 mm -107.88 -42.62 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 56' ' ' PHE . 6.5 t-160 -50.93 122.74 7.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' HIS . 86.5 m-85 37.18 35.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 53' ' ' VAL . 11.4 t30 -111.61 -31.33 7.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.619 HG11 HD11 ' A' ' 61' ' ' ILE . 89.3 t -68.42 107.71 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.9 ttt-85 -79.72 -39.82 30.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -158.21 167.43 29.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.619 HD11 HG11 ' A' ' 58' ' ' VAL . 59.6 mt -150.86 115.66 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -103.38 139.97 38.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.461 HG22 HD12 ' A' ' 82' ' ' LEU . 54.3 t -139.92 130.68 31.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.87 -136.82 33.39 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -40.12 -40.78 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.759 0.314 . . . . 0.0 110.9 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -38.68 -54.13 1.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.931 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 N--CA 1.465 -0.181 0 CA-C-O 121.589 0.579 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.457 ' HG2' ' CG ' ' A' ' 76' ' ' ARG . 54.1 Cg_endo -69.67 144.63 55.14 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.698 2.265 . . . . 0.0 112.364 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -54.33 136.08 43.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.72 -58.51 1.85 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.478 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.457 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 3.9 mmp_? -55.03 -173.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 110.857 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 p -125.02 167.41 14.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -75.83 -14.71 60.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.841 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.38 10.24 5.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -107.54 -25.32 6.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.3 mp -42.77 131.51 4.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.363 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.461 HD12 HG22 ' A' ' 63' ' ' VAL . 5.1 tp -152.84 121.91 6.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 98.3 m -125.91 135.18 51.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 90.2 t -114.48 127.92 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -94.3 128.33 40.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.3 mt -104.23 149.01 25.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 88' ' ' GLU . 27.5 mtt180 -64.56 -48.04 76.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 89' ' ' GLY . 11.7 pt-20 -38.08 -42.9 0.69 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.426 ' N ' ' HG3' ' A' ' 88' ' ' GLU . . . 124.12 53.38 0.19 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.469 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.5 m -162.92 127.05 2.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 0.0 110.857 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.3 ptt-85 -89.93 152.24 21.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.6 mt -115.56 102.08 9.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -78.44 105.01 9.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 58.5 mt -127.59 167.88 15.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 27.2 t -151.7 139.02 19.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -103.79 175.4 5.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -79.77 -45.81 18.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 67.4 p -131.81 165.53 23.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -55.85 -43.89 77.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.87 -65.17 0.61 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -48.73 -50.79 32.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.3 -57.31 9.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.096 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 20.0 mt -54.76 -46.48 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.177 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -46.69 -53.78 10.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.057 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.561 ' NE1' HD11 ' A' ' 14' ' ' LEU . 32.8 m95 -58.78 -44.68 90.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -53.45 -50.09 66.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.907 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 31.9 m -66.58 -44.17 82.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.73 -28.55 69.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 40.1 mt -84.88 -52.17 6.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 14.3 mmt -53.13 -31.29 41.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -74.7 -70.06 0.43 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.26 -26.82 3.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -71.76 -40.58 69.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 50.6 m -120.16 44.7 2.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.423 ' HA ' ' HD2' ' A' ' 116' ' ' PRO . 17.1 m -151.93 104.99 2.83 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.612 0.72 . . . . 0.0 111.141 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 115' ' ' THR . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.212 0 C-N-CA 122.671 2.247 . . . . 0.0 112.316 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.506 HD11 ' HB1' ' A' ' 30' ' ' ALA . 12.5 tp . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.859 0.361 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.446 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 44.2 t -114.73 -57.44 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.2 ttt-85 -149.68 152.84 36.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.83 88.83 0.15 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.514 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -127.25 148.77 17.57 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 54.6 m95 -70.8 151.99 44.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.752 0.31 . . . . 0.0 110.952 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.651 HD11 ' NE1' ' A' ' 105' ' ' TRP . 70.8 mt -153.5 137.41 16.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.519 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 98.1 m95 -77.9 120.99 23.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.5 ttp85 -111.22 138.7 47.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.923 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.418 ' HG2' ' N ' ' A' ' 24' ' ' TRP . 35.7 ttt180 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.783 0.325 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.425 ' CE2' ' HD3' ' A' ' 73' ' ' PRO . 92.6 m95 -78.26 132.57 37.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -128.96 145.57 51.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.519 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 15.3 mtm105 -74.68 139.85 43.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -150.87 138.3 19.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 28.5 t90 -94.86 99.58 11.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.442 ' CD2' ' HB3' ' A' ' 39' ' ' TYR . 51.5 m-85 -90.19 134.16 34.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.506 ' HB1' HD11 ' A' ' 8' ' ' LEU . . . -135.86 130.13 33.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.13 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.7 tp -96.58 134.16 40.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -104.15 152.66 21.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mt -59.01 -32.75 69.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -56.7 -21.54 28.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.44 39.15 3.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.452 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.8 p -128.34 155.42 44.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.778 0.323 . . . . 0.0 111.169 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.482 HD22 HD11 ' A' ' 54' ' ' ILE . 10.3 tp -121.54 111.18 16.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.09 132.51 9.41 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 50' ' ' ASP . 20.5 p90 -117.29 130.17 56.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.888 0.375 . . . . 0.0 110.922 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.53 ' CD2' ' HA ' ' A' ' 45' ' ' ALA . 2.7 m-85 -115.76 177.08 4.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -70.17 -63.26 1.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 44' ' ' THR . 17.5 t70 -126.71 176.93 6.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.23 -28.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 42' ' ' ASP . 63.2 p -73.97 106.93 5.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.136 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.53 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . . . -85.62 47.15 1.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -103.44 -14.69 16.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -114.56 66.4 0.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -54.54 107.44 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -75.68 -43.14 48.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 4.5 t70 -169.33 172.11 7.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.84 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -154.52 118.43 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.429 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 27.4 m -109.45 166.02 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.435 HG12 ' HB2' ' A' ' 57' ' ' ASN . 94.3 t -90.67 136.7 23.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.482 HD11 HD22 ' A' ' 37' ' ' LEU . 15.0 mm -108.19 -38.96 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.147 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -57.97 119.37 6.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.443 ' CE1' ' HA ' ' A' ' 114' ' ' SER . 61.7 m-85 38.23 45.59 0.79 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.435 ' HB2' HG12 ' A' ' 53' ' ' VAL . 6.8 t30 -121.73 -32.12 3.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 87.7 t -72.26 123.04 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.132 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -85.52 -42.71 14.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -165.37 155.8 13.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 77.6 mt -137.69 134.52 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -120.59 161.6 21.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 80.7 t -145.01 134.57 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.91 -131.67 36.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 66' ' ' GLU . 13.6 pt20 -41.56 -54.0 3.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.747 0.308 . . . . 0.0 110.915 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.441 ' N ' ' HG3' ' A' ' 65' ' ' GLN . 4.4 mm-40 -38.92 -50.13 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.904 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.465 -0.159 0 CA-C-O 121.572 0.572 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.425 ' HD3' ' CE2' ' A' ' 24' ' ' TRP . 53.7 Cg_endo -69.78 155.26 66.33 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.637 2.225 . . . . 0.0 112.33 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -53.32 146.81 11.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.31 -48.65 4.09 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.449 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.453 ' HD2' ' N ' ' A' ' 76' ' ' ARG . 0.7 OUTLIER -71.32 -175.54 1.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.816 0.341 . . . . 0.0 110.908 -179.871 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.3 m -133.94 157.84 44.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -49.27 -51.62 32.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -44.27 -34.07 1.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -58.84 -37.88 91.35 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.488 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 80' ' ' GLY . 4.2 mp -35.08 143.65 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.784 0.326 . . . . 0.0 110.97 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.0 tp -163.03 111.25 1.27 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.0 m -118.24 145.34 45.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 97.7 t -124.57 129.01 73.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -93.45 143.12 26.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.419 HD22 HD22 ' A' ' 57' ' ' ASN . 57.5 mt -112.36 151.39 29.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.426 ' CD ' ' HA ' ' A' ' 57' ' ' ASN . 15.5 ptm180 -73.1 -27.69 61.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.15 -32.63 74.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 120.57 61.03 0.24 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.458 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.4 m -170.56 151.25 3.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.368 . . . . 0.0 110.856 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -116.22 153.19 32.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.2 mt -111.97 105.66 14.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -79.26 112.15 16.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.2 mt -137.93 167.61 21.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 32.6 t -150.27 136.56 18.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -105.82 155.37 19.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.053 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -55.93 -47.13 78.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 71.2 p -129.48 177.93 6.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.133 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -73.97 -26.12 60.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -67.12 -57.43 6.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.81 -35.22 66.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.66 -54.66 42.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 40.6 mt -53.21 -45.32 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -44.32 -50.66 8.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.651 ' NE1' HD11 ' A' ' 14' ' ' LEU . 47.3 m95 -64.99 -40.64 95.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.4 tttm -58.99 -46.37 88.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 87.3 m -72.35 -44.36 62.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.15 -28.37 69.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 41.9 mt -86.61 -55.94 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 7.2 mmt -48.26 -42.05 29.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -63.91 -65.94 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.5 -35.34 8.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.98 -37.73 88.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.443 ' HA ' ' CE1' ' A' ' 56' ' ' PHE . 1.3 t -118.33 37.71 3.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 36.5 m -153.92 105.03 2.47 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.546 0.689 . . . . 0.0 111.164 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--N 1.341 0.165 0 C-N-CA 122.717 2.278 . . . . 0.0 112.339 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.5 tp . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.872 0.367 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.514 HG11 HD23 ' A' ' 31' ' ' LEU . 46.8 t -127.55 -53.76 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.104 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.483 ' NH1' ' HB1' ' A' ' 104' ' ' ALA . 22.7 ttm180 -162.05 158.75 25.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -135.43 -139.03 3.96 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.09 174.72 24.42 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.456 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 47.0 m95 -109.71 144.04 38.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.804 0.335 . . . . 0.0 110.896 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.8 HD11 ' NE1' ' A' ' 105' ' ' TRP . 70.1 mt -143.65 139.69 29.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.548 ' CH2' ' HD2' ' A' ' 26' ' ' ARG . 94.4 m95 -77.86 124.07 27.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.418 ' NH2' ' HD3' ' A' ' 25' ' ' LYS . 30.2 ttp85 -118.72 140.32 50.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.911 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.818 0.342 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.475 ' CD1' ' HB3' ' A' ' 73' ' ' PRO . 70.8 m95 -52.77 151.54 4.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.418 ' HD3' ' NH2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -138.99 145.5 39.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.548 ' HD2' ' CH2' ' A' ' 15' ' ' TRP . 24.5 mtp85 -79.14 121.31 24.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -132.1 166.86 20.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.429 ' CH2' ' HB2' ' A' ' 30' ' ' ALA . 79.1 t90 -119.77 105.11 10.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.478 ' CD2' ' HB3' ' A' ' 39' ' ' TYR . 47.4 m-85 -90.78 146.55 23.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.429 ' HB2' ' CH2' ' A' ' 28' ' ' TRP . . . -146.47 129.77 16.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.054 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.514 HD23 HG11 ' A' ' 9' ' ' VAL . 25.3 tp -98.25 133.5 42.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.978 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -107.04 153.93 21.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.426 HD23 ' CG2' ' A' ' 9' ' ' VAL . 3.1 mt -59.75 -33.25 71.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -56.28 -15.65 4.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.46 39.16 6.03 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.468 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.6 p -127.54 149.87 49.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.802 0.334 . . . . 0.0 111.159 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.614 ' HB2' HD11 ' A' ' 54' ' ' ILE . 9.4 tp -118.21 113.17 21.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.04 139.03 14.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.471 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.478 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 11.8 p90 -121.56 115.38 22.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.881 0.372 . . . . 0.0 110.98 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.559 ' CD2' ' HA ' ' A' ' 45' ' ' ALA . 12.9 m-85 -101.48 164.84 11.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.498 ' CE1' ' OD1' ' A' ' 42' ' ' ASP . 0.5 OUTLIER -61.71 -54.68 39.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.498 ' OD1' ' CE1' ' A' ' 41' ' ' HIS . 97.0 m-20 -129.66 -179.26 5.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -47.87 -31.11 4.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.1 p -75.05 109.98 8.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.559 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . . . -81.34 47.83 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -104.25 -22.12 13.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 48' ' ' GLU . 1.1 m-20 -105.88 42.46 1.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 47' ' ' ASP . 9.6 tt0 -35.44 123.29 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -90.51 -43.95 9.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.441 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 4.2 m-20 -169.53 179.09 3.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.834 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -155.24 117.86 4.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 25.3 m -109.13 161.48 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 63.8 t -89.49 138.45 19.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.614 HD11 ' HB2' ' A' ' 37' ' ' LEU . 30.8 mm -107.57 -39.66 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -55.94 119.18 5.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 39.36 47.16 1.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -128.13 -31.51 2.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.503 HG11 HD11 ' A' ' 61' ' ' ILE . 71.9 t -69.18 100.4 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.8 ttt-85 -64.4 -48.61 74.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -154.71 169.7 23.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.809 HD12 ' HG2' ' A' ' 110' ' ' MET . 61.4 mt -145.54 125.72 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.2 mttm -111.55 135.26 52.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.819 HG13 ' HB1' ' A' ' 102' ' ' ALA . 62.3 t -137.83 131.04 42.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.149 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.3 -133.17 42.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.49 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.427 ' NE2' ' HG2' ' A' ' 66' ' ' GLU . 2.1 pp0? -39.82 -48.39 2.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.767 0.317 . . . . 0.0 110.938 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.427 ' HG2' ' NE2' ' A' ' 65' ' ' GLN . 4.0 mm-40 -37.73 -52.15 1.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 81.4 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.897 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.14 0 CA-C-O 121.554 0.564 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.475 ' HB3' ' CD1' ' A' ' 24' ' ' TRP . 53.7 Cg_endo -69.79 -168.61 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.634 2.223 . . . . 0.0 112.333 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -75.71 105.17 6.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 119.32 -53.61 0.67 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.533 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.464 ' HD2' ' N ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -51.05 -176.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.817 0.341 . . . . 0.0 110.915 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.5 m -142.22 158.62 43.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.829 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 39.9 mtm180 -64.17 -14.01 52.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.11 20.5 4.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -128.3 -32.37 0.63 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 80' ' ' GLY . 4.4 mp -34.38 149.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.813 0.34 . . . . 0.0 110.966 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.517 ' CD1' HG22 ' A' ' 63' ' ' VAL . 13.0 tp -161.44 112.23 1.7 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.9 m -119.63 135.78 54.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 94.7 t -114.37 130.57 68.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -97.66 146.34 25.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 26.1 mt -119.02 154.3 33.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -77.59 -36.2 52.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.36 -23.54 3.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 112.12 56.13 0.46 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.5 m -171.85 156.22 4.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 0.0 110.826 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -122.15 172.43 8.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.5 mt -132.54 106.56 7.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.476 ' O ' HD23 ' A' ' 94' ' ' LEU . 25.9 m-70 -81.05 109.73 15.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 93' ' ' HIS . 36.5 mt -130.13 170.24 14.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 40.3 t -149.56 138.33 21.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -107.65 160.3 15.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.084 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -71.3 -37.74 71.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 31.8 p -133.42 148.89 51.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -48.52 -40.09 25.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.56 -56.31 16.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -50.94 -44.06 60.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.819 ' HB1' HG13 ' A' ' 63' ' ' VAL . . . -62.96 -45.12 93.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.074 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 79.6 mt -61.31 -38.3 79.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.483 ' HB1' ' NH1' ' A' ' 10' ' ' ARG . . . -56.59 -40.99 76.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.104 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.8 ' NE1' HD11 ' A' ' 14' ' ' LEU . 49.1 m95 -68.73 -39.06 80.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.496 ' HD2' ' CG2' ' A' ' 61' ' ' ILE . 16.8 tptm -55.05 -40.3 70.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 94.2 m -83.27 -46.35 12.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.092 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.61 -26.76 67.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 42.9 mt -91.27 -50.77 5.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.809 ' HG2' HD12 ' A' ' 61' ' ' ILE . 5.5 mmt -57.23 -33.15 67.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -70.8 -66.52 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -48.18 -38.21 17.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -62.1 -30.82 71.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.3 m -123.71 43.24 3.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 81.5 m -161.05 105.06 1.25 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.573 0.701 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.164 0 C-N-CA 122.716 2.277 . . . . 0.0 112.343 179.952 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.0 tp . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.904 0.383 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.448 HG23 HD23 ' A' ' 33' ' ' LEU . 60.8 t -103.2 -57.53 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 47.5 ttt85 -140.8 155.13 46.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -149.45 82.47 0.18 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.454 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -123.52 159.99 18.1 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.421 ' CZ3' ' HB3' ' A' ' 26' ' ' ARG . 52.8 m95 -85.91 133.44 33.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.787 0.327 . . . . 0.0 110.939 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.405 HD11 ' CD1' ' A' ' 105' ' ' TRP . 21.5 mt -136.88 145.08 43.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.564 ' CZ3' ' HG3' ' A' ' 26' ' ' ARG . 99.0 m95 -82.09 124.02 29.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.5 ttp85 -110.9 153.17 25.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.954 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 mtp-105 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.789 0.328 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -76.39 161.43 28.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.404 ' C ' ' HD3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -157.72 159.69 37.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.564 ' HG3' ' CZ3' ' A' ' 15' ' ' TRP . 31.4 mtp180 -90.76 140.14 30.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.469 ' ND2' ' OE2' ' A' ' 49' ' ' GLU . 3.7 t-20 -154.36 148.96 26.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.471 ' CE3' ' HA ' ' A' ' 43' ' ' GLU . 28.3 t90 -97.84 106.04 18.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.941 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.578 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 38.3 m-85 -94.27 127.23 40.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.77 144.5 51.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.091 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.444 HD23 ' CB ' ' A' ' 9' ' ' VAL . 26.1 tp -109.49 136.62 48.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -107.46 146.15 32.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.448 HD23 HG23 ' A' ' 9' ' ' VAL . 3.2 mt -60.12 -29.66 68.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.61 -16.01 3.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.42 40.88 4.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.473 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.3 p -135.21 153.5 51.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 111.134 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.468 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . 12.2 tp -123.78 111.05 15.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.05 139.53 12.4 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.412 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 16.9 p90 -117.76 138.33 52.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.935 0.398 . . . . 0.0 110.899 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.436 ' O ' ' C ' ' A' ' 41' ' ' HIS . 7.0 m-85 -131.0 148.27 52.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 40' ' ' TYR . 23.5 m80 -34.45 -66.03 0.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -123.1 179.71 4.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.471 ' HA ' ' CE3' ' A' ' 28' ' ' TRP . 15.1 pt-20 -45.47 -28.58 0.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.2 p -78.67 115.14 18.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.53 54.41 2.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.107 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -93.71 -36.45 12.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -106.7 76.59 1.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -59.93 111.84 1.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.469 ' OE2' ' ND2' ' A' ' 27' ' ' ASN . 35.2 mt-10 -80.73 -46.45 15.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -169.61 173.52 6.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 51' ' ' ARG . 17.2 ttp-105 -153.75 117.57 4.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.529 ' HB ' HD13 ' A' ' 86' ' ' LEU . 34.1 m -107.5 170.39 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 44.4 t -95.5 141.02 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.461 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 5.5 mm -110.32 -39.65 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 56' ' ' PHE . 2.0 t-80 -55.76 119.97 6.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.432 ' O ' ' NE ' ' A' ' 87' ' ' ARG . 15.4 m-85 35.88 45.32 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -125.61 -12.64 6.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.7 t -85.65 96.83 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -64.85 -44.63 89.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -163.46 166.24 22.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.406 HD12 ' HG2' ' A' ' 110' ' ' MET . 51.8 mt -144.56 120.6 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -106.79 143.21 35.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 46.1 t -141.48 133.27 28.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.71 -138.6 37.97 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.521 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -38.71 -39.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.776 0.322 . . . . 0.0 110.95 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -40.4 -53.93 2.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.908 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 121.554 0.564 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -178.31 2.26 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.42 ' C ' ' CD ' ' A' ' 74' ' ' GLU . 6.2 tm-20 -74.75 131.14 40.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 76' ' ' ARG . . . 98.38 -61.37 0.89 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.522 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.465 ' HD2' ' N ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -51.36 -175.13 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 -179.873 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.9 m -133.02 157.0 46.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.5 mtt85 -59.48 -51.33 70.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -55.3 -13.98 1.61 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -78.29 -25.84 60.7 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.483 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.7 mp -49.23 125.87 11.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.922 0.391 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.0 tp -133.92 116.97 16.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 87.0 m -121.47 139.62 53.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 38.4 t -117.39 150.38 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.149 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -115.98 120.75 40.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.529 HD13 ' HB ' ' A' ' 52' ' ' VAL . 61.0 mt -103.57 139.71 38.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.951 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.432 ' NE ' ' O ' ' A' ' 56' ' ' PHE . 54.0 mtm180 -59.16 -48.93 79.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 87' ' ' ARG . 19.1 pt-20 -36.7 -34.16 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 87' ' ' ARG . . . 114.37 51.72 0.46 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.442 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.2 t -166.08 116.69 1.01 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.9 0.381 . . . . 0.0 110.831 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -86.52 158.35 19.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.6 mt -113.21 122.13 46.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -97.32 112.11 24.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.578 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 18.1 mt -134.69 165.82 24.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.4 t -140.18 119.4 12.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -89.68 164.03 14.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.034 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -70.77 -37.12 73.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 21.2 p -148.19 165.77 29.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -59.08 -34.87 72.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -57.21 -53.71 55.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -61.76 -42.82 99.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.6 -55.12 37.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 22.0 mt -53.29 -43.75 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -49.09 -41.83 36.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.048 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.405 ' CD1' HD11 ' A' ' 14' ' ' LEU . 43.6 m95 -69.3 -43.49 73.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.938 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -57.0 -39.46 74.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 91.6 m -73.21 -46.95 47.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.87 -29.0 70.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 46.0 mt -86.12 -55.07 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.406 ' HG2' HD12 ' A' ' 61' ' ' ILE . 10.9 mmt -51.53 -20.97 2.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -83.44 -64.99 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.59 -29.11 2.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.059 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.39 -39.79 77.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.1 m -115.14 41.11 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 26.1 m -156.62 105.0 1.98 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.587 0.708 . . . . 0.0 111.161 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.247 . . . . 0.0 112.324 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.594 HD23 ' N ' ' A' ' 9' ' ' VAL . 2.3 tt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.826 0.346 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.594 ' N ' HD23 ' A' ' 8' ' ' LEU . 72.7 t -96.44 -53.54 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -170.38 155.39 5.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -141.8 -175.3 15.14 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.453 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 149.18 148.31 4.72 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -69.43 130.97 43.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.829 0.347 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.524 HD11 ' NE1' ' A' ' 105' ' ' TRP . 88.9 mt -134.59 142.34 46.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.422 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 95.5 m95 -79.71 115.14 19.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.6 ttt-85 -108.17 131.78 54.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.54 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 33.3 tt0 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.796 0.331 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.54 ' CZ3' ' HB2' ' A' ' 17' ' ' GLN . 95.5 m95 -79.33 153.91 29.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -148.57 141.96 25.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.422 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 44.6 mtm180 -75.58 120.61 21.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -145.82 129.01 16.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.453 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 14.9 t-105 -79.62 129.99 34.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.582 ' CD2' ' HB3' ' A' ' 39' ' ' TYR . 26.0 m-85 -110.59 145.57 37.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.29 127.05 14.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.642 HD12 ' O ' ' A' ' 36' ' ' THR . 66.7 tp -91.63 139.15 30.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -111.07 139.62 46.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.539 ' N ' HD23 ' A' ' 33' ' ' LEU . 2.4 mt -56.28 -23.74 38.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.925 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -58.19 -19.25 31.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.814 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.3 33.57 5.64 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.502 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.642 ' O ' HD12 ' A' ' 31' ' ' LEU . 4.2 p -129.77 170.98 13.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 111.163 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.639 ' HB2' HD11 ' A' ' 54' ' ' ILE . 12.3 tp -134.29 112.36 10.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.28 135.33 11.24 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.528 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.582 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 35.9 p90 -119.24 127.61 53.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.881 0.372 . . . . 0.0 110.927 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.558 ' CD2' ' HA ' ' A' ' 45' ' ' ALA . 1.9 m-85 -109.89 154.9 22.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.943 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -66.35 -53.53 35.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.402 ' CG ' ' OD2' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -77.88 175.2 10.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -65.86 -34.45 78.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.6 p -94.19 174.6 7.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.558 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . . . -94.23 81.15 4.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.105 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -125.13 -49.71 1.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.402 ' OD2' ' CG ' ' A' ' 42' ' ' ASP . 3.9 p30 -91.75 75.56 5.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -56.16 116.06 2.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -94.31 -48.62 6.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 2.5 t70 -171.33 172.11 5.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.415 ' HB2' ' NH1' ' A' ' 51' ' ' ARG . 17.0 ttm105 -152.39 122.09 6.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 31.9 m -110.07 144.44 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.0 t -66.54 145.14 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.639 HD11 ' HB2' ' A' ' 37' ' ' LEU . 28.7 mm -115.94 -39.22 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 56' ' ' PHE . 39.4 t-80 -53.72 121.46 7.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 55' ' ' HIS . 4.8 m-85 35.4 43.06 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -121.76 -22.51 5.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.709 HG11 HD11 ' A' ' 61' ' ' ILE . 92.2 t -82.96 99.79 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.139 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.1 tpt85 -66.24 -50.18 64.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -149.58 171.76 16.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.83 HD12 ' HG2' ' A' ' 110' ' ' MET . 97.6 mt -149.34 116.19 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -103.95 144.3 31.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.487 HG22 ' CD1' ' A' ' 82' ' ' LEU . 44.5 t -141.48 129.94 22.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.155 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.21 -132.03 35.97 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.44 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 66' ' ' GLU . 35.9 mm-40 -40.69 -45.7 2.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.752 0.311 . . . . 0.0 110.903 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 65' ' ' GLN . 16.1 mt-10 -38.37 -46.89 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 85.4 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 -179.882 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.656 ' HB3' HD11 ' A' ' 81' ' ' LEU . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.196 0 CA-C-O 121.615 0.589 . . . . 0.0 112.343 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.472 ' HG2' ' CG ' ' A' ' 76' ' ' ARG . 53.7 Cg_endo -69.74 145.92 58.71 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.706 2.271 . . . . 0.0 112.333 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -55.07 135.72 48.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.86 -60.11 1.72 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.472 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 5.8 mmp_? -52.35 -172.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.807 0.337 . . . . 0.0 110.891 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.9 m -119.92 159.57 24.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.507 ' O ' HD13 ' A' ' 81' ' ' LEU . 15.3 mtm180 -61.04 -51.05 70.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -45.33 -47.38 13.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -39.2 -36.47 0.57 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.445 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.741 HD12 ' SG ' ' A' ' 95' ' ' CYS . 6.8 mp -38.19 138.42 0.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.838 0.352 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.487 ' CD1' HG22 ' A' ' 63' ' ' VAL . 6.8 tp -154.05 111.84 3.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.436 ' CG2' ' HB2' ' A' ' 91' ' ' ARG . 4.9 m -110.81 114.13 27.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 64.6 t -99.52 128.45 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -93.25 140.21 29.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 69.7 mt -116.5 150.07 38.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -58.82 -46.49 87.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.449 ' C ' ' OE1' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -45.9 -36.68 5.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 115.4 69.42 0.46 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.444 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 27.0 t -171.11 145.93 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.879 0.371 . . . . 0.0 110.866 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.436 ' HB2' ' CG2' ' A' ' 83' ' ' THR . 17.3 ptp180 -107.72 136.52 47.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.1 mt -95.51 107.78 19.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -79.18 104.55 9.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.6 mt -132.36 160.17 37.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.741 ' SG ' HD12 ' A' ' 81' ' ' LEU . 36.2 m -141.92 126.96 18.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.437 ' HB3' ' HB2' ' A' ' 102' ' ' ALA . . . -94.7 159.92 14.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -52.49 -59.49 4.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 58.9 p -128.8 174.06 9.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -59.62 -44.12 93.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -52.17 -48.61 64.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -63.22 -46.96 84.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.437 ' HB2' ' HB3' ' A' ' 96' ' ' ALA . . . -58.3 -44.68 88.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 56.3 mt -60.72 -39.18 80.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.73 -41.53 70.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.524 ' NE1' HD11 ' A' ' 14' ' ' LEU . 60.3 m95 -66.88 -42.03 86.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.495 ' HD2' ' CG2' ' A' ' 61' ' ' ILE . 17.7 tptm -50.36 -45.0 54.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.853 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 88.0 m -79.39 -44.09 22.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.178 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.79 -26.36 67.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 40.4 mt -91.29 -51.01 5.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.83 ' HG2' HD12 ' A' ' 61' ' ' ILE . 3.4 mmt -53.46 -38.72 63.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -68.33 -59.96 2.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.5 -34.9 26.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.41 ' O ' ' CD1' ' A' ' 56' ' ' PHE . 1.6 t30 -70.02 -33.84 72.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 80.0 p -124.07 41.14 3.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 87.1 m -157.52 105.01 1.82 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.618 0.723 . . . . 0.0 111.14 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.716 2.278 . . . . 0.0 112.332 179.951 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.637 HD23 ' N ' ' A' ' 9' ' ' VAL . 3.2 tt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.839 0.352 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.702 ' HB ' HD23 ' A' ' 31' ' ' LEU . 90.5 t -94.7 -60.25 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 11' ' ' GLY . 4.5 tpm_? -141.82 150.85 42.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.417 ' N ' ' HG3' ' A' ' 10' ' ' ARG . . . -154.3 134.97 4.51 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.453 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . -176.99 163.02 31.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.458 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -75.81 143.25 41.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.855 0.359 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.766 HD11 ' NE1' ' A' ' 105' ' ' TRP . 81.3 mt -153.81 137.03 15.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.524 ' CH2' ' HD2' ' A' ' 26' ' ' ARG . 98.7 m95 -74.74 130.94 40.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.1 ttp85 -114.62 139.52 49.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.893 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.825 0.345 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.523 ' CD1' ' HB3' ' A' ' 73' ' ' PRO . 98.3 m95 -72.74 138.18 46.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.26 135.71 47.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.524 ' HD2' ' CH2' ' A' ' 15' ' ' TRP . 20.1 mtt180 -72.18 131.23 42.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -148.93 145.96 27.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.453 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 14.8 t-105 -98.77 108.18 20.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.55 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 8.3 m-85 -93.39 145.62 24.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.86 133.34 24.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.702 HD23 ' HB ' ' A' ' 9' ' ' VAL . 20.2 tp -99.71 133.88 43.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 69.2 m95 -106.42 150.11 26.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 mt -56.64 -33.66 66.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 36' ' ' THR . 20.1 p30 -53.54 -20.46 5.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.439 ' N ' ' OD1' ' A' ' 34' ' ' ASP . . . 97.21 32.0 6.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.434 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.455 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 72.7 p -121.54 160.72 23.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 111.115 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.59 HD22 HD11 ' A' ' 54' ' ' ILE . 11.6 tp -124.96 107.3 10.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.91 134.32 10.45 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.426 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.443 ' CZ ' ' HB2' ' A' ' 50' ' ' ASP . 18.9 p90 -119.18 131.89 55.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.906 0.384 . . . . 0.0 110.908 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 4.0 m-85 -115.61 162.83 16.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.923 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -43.86 -47.49 8.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.2 OUTLIER -144.78 167.46 22.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.824 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 42' ' ' ASP . 35.1 tt0 -35.3 -42.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 82.7 p -68.21 88.79 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.134 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.58 88.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -127.73 -50.0 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -90.47 79.01 6.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -53.01 106.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -85.15 -50.73 7.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.443 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 9.3 m-20 -170.68 170.57 6.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.3 ttm105 -154.82 123.59 6.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.485 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 27.2 m -109.2 172.02 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.3 t -96.91 136.63 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.59 HD11 HD22 ' A' ' 37' ' ' LEU . 21.6 mm -108.34 -41.82 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.445 ' CE1' ' HD2' ' A' ' 56' ' ' PHE . 11.5 t-80 -49.91 118.83 3.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.445 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 15.4 m-85 37.67 42.2 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.461 ' ND2' ' HB2' ' A' ' 87' ' ' ARG . 2.6 t-20 -122.66 -15.22 7.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.464 HG11 ' HE2' ' A' ' 110' ' ' MET . 71.6 t -82.44 94.29 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.151 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -64.63 -46.51 82.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -158.98 161.88 36.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.5 mt -141.33 121.83 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.142 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -105.33 130.42 53.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 88.2 t -132.72 136.27 56.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.077 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.03 -131.07 48.28 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.486 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 66' ' ' GLU . 11.9 tt0 -40.58 -48.03 2.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.778 0.323 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 65' ' ' GLN . 15.9 mt-10 -34.46 -39.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.535 ' CB ' HD23 ' A' ' 81' ' ' LEU . 19.8 p . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.149 0 CA-C-O 121.568 0.57 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.523 ' HB3' ' CD1' ' A' ' 24' ' ' TRP . 54.6 Cg_endo -69.72 -168.73 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.624 2.216 . . . . 0.0 112.378 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -79.64 109.4 14.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 117.59 -48.66 0.92 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -65.16 169.08 5.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.338 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 t -114.0 152.71 30.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 58.1 mtm180 -60.89 -9.53 4.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -84.58 -14.96 47.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -87.36 -17.07 59.47 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.535 HD23 ' CB ' ' A' ' 67' ' ' CYS . 1.2 mp -46.21 143.01 2.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.363 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.9 tp -156.44 118.1 3.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 12.0 m -120.06 135.52 54.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 95.7 t -118.57 129.68 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.174 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -96.93 137.22 36.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.402 ' CB ' ' HG2' ' A' ' 88' ' ' GLU . 52.3 mt -113.78 136.87 52.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.461 ' HB2' ' ND2' ' A' ' 57' ' ' ASN . 25.2 mmm180 -48.4 -37.97 18.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.402 ' HG2' ' CB ' ' A' ' 86' ' ' LEU . 9.5 pt-20 -45.87 -38.27 7.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 120.55 33.51 1.01 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.529 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.8 p -143.0 154.49 44.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -112.75 156.44 22.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.3 mt -114.81 106.87 14.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 61.6 m80 -78.42 103.36 8.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.55 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 44.5 mt -126.83 163.67 23.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 30.9 t -149.21 130.63 14.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.3 177.97 5.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -79.54 -44.96 20.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 41.3 p -133.42 168.53 18.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.181 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.4 ptt180 -64.4 -10.76 26.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -85.01 -55.21 4.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.16 -36.72 66.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.29 -62.45 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 58.2 mt -45.76 -44.37 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -46.87 -54.46 9.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.766 ' NE1' HD11 ' A' ' 14' ' ' LEU . 31.2 m95 -59.74 -44.47 93.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -53.49 -41.83 66.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 94.2 m -73.18 -43.51 61.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.59 -25.7 68.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 40.1 mt -88.69 -50.17 6.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.464 ' HE2' HG11 ' A' ' 58' ' ' VAL . 18.4 mmt -57.06 -36.25 70.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -67.98 -65.82 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.948 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -51.4 -41.69 60.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.096 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -54.47 -43.13 71.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.8 t -113.57 40.61 2.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 92.6 m -157.23 105.01 1.87 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.558 0.694 . . . . 0.0 111.16 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.649 2.233 . . . . 0.0 112.338 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.1 tp . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.855 0.359 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.589 HG22 ' CD2' ' A' ' 33' ' ' LEU . 41.4 t -95.74 -60.88 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.2 ttt85 -152.46 162.29 41.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -155.45 140.91 7.66 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.517 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.44 129.79 1.46 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.467 ' CH2' ' HA ' ' A' ' 42' ' ' ASP . 48.9 m95 -50.72 136.08 22.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.841 0.353 . . . . 0.0 110.907 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.2 mt -148.95 145.51 27.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.941 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.574 ' CH2' ' HD2' ' A' ' 26' ' ' ARG . 64.4 m95 -73.65 133.21 43.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.5 ttt-85 -120.46 133.79 55.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.523 ' HB2' ' CD2' ' A' ' 24' ' ' TRP . 12.4 tt0 . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.832 0.349 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.595 ' CZ3' ' HB2' ' A' ' 95' ' ' CYS . 78.5 m95 -82.48 149.41 27.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -149.6 138.12 20.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.574 ' HD2' ' CH2' ' A' ' 15' ' ' TRP . 31.3 mtp180 -68.73 128.31 36.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -150.35 148.88 29.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 -85.66 131.1 34.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.55 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 44.4 m-85 -122.78 135.0 54.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.87 139.39 32.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.069 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.7 tp -100.81 152.04 20.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 84.6 m95 -120.05 156.91 30.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.589 ' CD2' HG22 ' A' ' 9' ' ' VAL . 3.1 mt -76.33 -17.5 59.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -83.01 19.74 1.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.35 59.29 10.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.486 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.9 p -150.52 138.52 20.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.825 0.345 . . . . 0.0 111.12 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.643 ' HB2' HD11 ' A' ' 54' ' ' ILE . 19.0 tp -117.9 110.8 18.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.36 141.23 13.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.491 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 50' ' ' ASP . 15.1 p90 -120.75 155.39 34.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.886 0.374 . . . . 0.0 110.96 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 2.3 m-85 -134.73 163.69 29.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.605 ' CE1' ' OD1' ' A' ' 42' ' ' ASP . 9.4 p-80 -53.14 -50.04 65.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.844 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.605 ' OD1' ' CE1' ' A' ' 41' ' ' HIS . 19.7 p30 -124.81 179.35 5.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -57.89 -38.72 76.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 46' ' ' GLN . 43.8 p -72.49 88.52 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.186 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.439 ' HB1' ' CE2' ' A' ' 40' ' ' TYR . . . -46.31 91.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.072 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' THR . 36.5 mm-40 -129.73 -46.39 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.963 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -94.33 80.51 3.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -50.77 92.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -67.73 -48.11 67.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 5.8 t0 -171.22 174.96 4.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -155.91 125.75 6.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.547 HG21 HD11 ' A' ' 92' ' ' LEU . 32.7 m -118.09 171.3 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.12 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.5 t -98.1 135.91 30.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.076 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.643 HD11 ' HB2' ' A' ' 37' ' ' LEU . 36.5 mm -103.77 -40.3 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -60.7 122.47 14.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 42.7 47.51 4.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -130.66 -35.01 1.5 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.8 t -63.31 106.45 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.2 tpt85 -75.97 -44.08 41.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.99 143.41 5.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.444 HD12 ' HG2' ' A' ' 110' ' ' MET . 69.0 mt -120.44 122.2 67.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.086 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -103.93 124.82 49.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.1 t -132.3 129.0 59.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . 59.37 -127.45 44.89 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.476 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 64' ' ' GLY . 58.9 tt0 -35.14 -51.87 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.757 0.313 . . . . 0.0 110.913 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 67' ' ' CYS . 3.6 mm-40 -37.75 -50.55 1.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 66' ' ' GLU . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.604 ' HB3' HD11 ' A' ' 81' ' ' LEU . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 121.631 0.596 . . . . 0.0 112.329 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -164.76 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.646 2.231 . . . . 0.0 112.353 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -70.15 127.58 33.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.9 -59.33 3.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.532 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.463 ' NE ' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -46.16 172.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.842 -179.863 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.2 p -131.6 162.67 29.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.9 mtm180 -66.5 -4.21 7.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.51 -21.36 21.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 96' ' ' ALA . . . -99.41 24.59 31.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.604 HD11 ' HB3' ' A' ' 72' ' ' PRO . 5.3 mp -91.93 119.73 31.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.86 0.362 . . . . 0.0 110.938 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.7 tp -129.53 110.87 12.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.0 m -117.63 135.08 54.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.8 t -118.91 132.71 68.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.086 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -97.41 137.9 35.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.0 mt -110.59 143.38 41.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -74.03 -41.72 61.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -41.1 -42.81 2.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 136.89 51.26 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.476 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.7 m -170.96 170.98 6.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 110.927 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -129.75 171.36 12.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.547 HD11 HG21 ' A' ' 52' ' ' VAL . 4.1 mt -131.99 104.51 6.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -86.67 118.51 26.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.55 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 67.5 mt -136.82 159.41 41.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.595 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 37.2 t -147.09 114.36 6.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 80' ' ' GLY . . . -84.39 178.95 7.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -78.09 -42.57 31.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 78.6 p -134.09 164.37 27.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.427 ' HB2' ' NH1' ' A' ' 99' ' ' ARG . 3.9 ptm85 -58.14 -44.76 88.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -48.0 -62.79 1.29 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.97 -45.77 51.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.24 -52.97 61.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.063 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 63.7 mt -55.12 -43.46 70.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.02 -52.12 36.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.063 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -54.44 -46.3 73.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.8 tttm -50.8 -40.47 55.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 33.9 m -70.52 -49.89 43.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.65 -28.85 70.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.076 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 13.1 mt -82.58 -52.46 6.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.444 ' HG2' HD12 ' A' ' 61' ' ' ILE . 12.1 mmt -55.5 -44.12 76.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -64.1 -62.42 1.64 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.81 -32.22 5.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.099 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.06 -37.12 83.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 57.8 m -127.13 62.13 1.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 99.5 m -162.98 105.22 1.02 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.592 0.711 . . . . 0.0 111.183 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.212 0 C-N-CA 122.651 2.234 . . . . 0.0 112.322 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.939 HD11 ' HB1' ' A' ' 30' ' ' ALA . 5.9 tp . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.862 0.363 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.42 HG21 HD23 ' A' ' 31' ' ' LEU . 60.1 t -84.03 -62.56 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.4 ttt85 -148.27 161.09 42.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -142.06 -179.77 19.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.454 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.37 -162.06 28.19 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -123.69 132.39 53.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.8 0.333 . . . . 0.0 110.973 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.0 mt -132.67 139.77 47.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.522 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 95.8 m95 -81.29 119.7 23.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.984 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.457 ' O ' ' CD ' ' A' ' 25' ' ' LYS . 29.9 ttp85 -109.72 129.44 55.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.94 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.5 ttt180 . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.829 0.347 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -79.83 129.4 34.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.457 ' CD ' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -128.55 147.1 50.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.522 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 55.6 mtm180 -68.5 139.11 55.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -150.31 128.11 11.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 23.6 t-105 -86.01 99.21 11.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.7 ' CE2' ' CD2' ' A' ' 39' ' ' TYR . 47.6 m-85 -90.49 141.38 28.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.852 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.939 ' HB1' HD11 ' A' ' 8' ' ' LEU . . . -144.11 133.73 23.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.104 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.525 HD12 ' O ' ' A' ' 36' ' ' THR . 41.4 tp -100.05 137.37 38.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 73.5 m95 -105.97 151.21 24.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.7 mt -61.25 -19.99 62.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.97 -11.74 61.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.37 42.52 5.5 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.46 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.525 ' O ' HD12 ' A' ' 31' ' ' LEU . 12.3 p -133.04 151.9 52.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.839 0.352 . . . . 0.0 111.115 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.478 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 11.4 tp -122.95 107.31 11.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.8 136.59 10.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.51 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.7 ' CD2' ' CE2' ' A' ' 29' ' ' PHE . 13.8 p90 -117.89 131.12 56.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.948 0.404 . . . . 0.0 110.903 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.652 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 3.3 m-85 -113.13 173.46 6.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.894 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.499 ' CG ' ' N ' ' A' ' 42' ' ' ASP . 7.9 p80 -60.36 -51.01 71.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.845 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.499 ' N ' ' CG ' ' A' ' 41' ' ' HIS . 4.7 t70 -147.85 -177.55 5.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.821 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 42' ' ' ASP . 17.1 pt-20 -37.62 -39.49 0.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.9 p -73.25 108.3 6.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.164 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.652 ' HB1' ' CE2' ' A' ' 40' ' ' TYR . . . -85.37 51.72 2.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -101.19 -6.09 24.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -129.83 68.68 1.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -52.87 115.11 1.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -82.84 -43.9 16.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 17.2 m-20 -169.01 174.48 6.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -156.03 127.09 7.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.473 HG21 HD11 ' A' ' 92' ' ' LEU . 23.3 m -123.14 136.66 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.4 t -65.28 143.98 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.478 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 18.4 mm -113.41 -38.51 2.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.168 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -59.85 120.29 9.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 41.55 40.03 1.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -123.24 -25.65 4.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.458 HG11 HD11 ' A' ' 61' ' ' ILE . 98.4 t -77.62 101.52 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.439 ' NH1' ' CZ ' ' A' ' 87' ' ' ARG . 5.5 tpt180 -66.33 -49.29 67.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -158.06 167.97 28.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.666 HD12 ' HG2' ' A' ' 110' ' ' MET . 75.2 mt -143.07 124.15 11.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -108.94 147.67 31.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.599 HG22 ' CD1' ' A' ' 82' ' ' LEU . 40.0 t -142.65 143.83 25.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.17 -132.7 52.69 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.521 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 66' ' ' GLU . 1.7 mp0 -42.05 -53.21 4.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.733 0.302 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 67' ' ' CYS . 13.0 mt-10 -34.77 -36.96 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 66' ' ' GLU . 17.9 p . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 121.575 0.573 . . . . 0.0 112.319 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 163.05 39.75 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -64.12 141.9 58.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.35 -60.68 2.94 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.508 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -62.69 176.86 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.838 0.351 . . . . 0.0 110.832 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.5 m -118.53 173.31 6.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.6 mtt85 -69.11 -41.83 76.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.77 -12.23 4.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -81.44 -27.9 46.08 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.6 mp -51.51 137.87 23.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.817 0.341 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.599 ' CD1' HG22 ' A' ' 63' ' ' VAL . 6.4 tp -149.26 111.15 4.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.8 m -108.1 128.69 54.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 48.8 t -110.23 134.8 51.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -101.82 136.39 41.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 25.2 mt -113.55 153.64 28.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.439 ' CZ ' ' NH1' ' A' ' 59' ' ' ARG . 17.0 mtp85 -69.6 -40.14 76.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -51.57 -22.72 3.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.64 62.93 0.79 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.4 t -169.79 119.57 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 110.859 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -83.23 156.55 23.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.473 HD11 HG21 ' A' ' 52' ' ' VAL . 10.8 mt -117.46 111.4 19.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.41 ' O ' HD23 ' A' ' 94' ' ' LEU . 48.7 m80 -84.51 112.19 20.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 93' ' ' HIS . 17.7 mt -136.18 172.29 13.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 38.2 t -155.44 128.48 8.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.61 162.88 13.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.06 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -69.31 -37.13 77.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.2 p -141.21 154.25 45.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.194 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.33 -25.68 2.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.31 -63.2 1.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -48.93 -38.32 22.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.81 -57.16 13.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 73.5 mt -55.76 -39.77 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.147 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.16 -52.67 41.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -63.52 -39.62 94.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.603 ' HE3' HG22 ' A' ' 61' ' ' ILE . 11.6 ttmt -57.88 -42.87 85.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 93.1 m -75.37 -43.68 49.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.18 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.18 -29.32 70.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 58.2 mt -86.63 -49.0 7.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.666 ' HG2' HD12 ' A' ' 61' ' ' ILE . 8.5 mmt -54.84 -32.17 60.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.66 -62.88 1.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.87 -35.83 11.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.7 -37.88 89.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 35.1 p -116.84 40.96 2.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 94.0 m -158.06 104.99 1.73 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.566 0.698 . . . . 0.0 111.16 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.155 0 C-N-CA 122.644 2.229 . . . . 0.0 112.354 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.88 HD11 ' HB1' ' A' ' 30' ' ' ALA . 32.0 tp . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.836 0.35 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.519 ' HB ' HD23 ' A' ' 31' ' ' LEU . 61.0 t -94.61 -62.19 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.552 ' HB3' ' CH2' ' A' ' 105' ' ' TRP . 4.4 tpm_? -123.59 153.66 40.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -155.04 105.02 0.26 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -162.77 156.81 28.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 49.9 m95 -79.42 134.57 36.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.847 0.356 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.8 HD11 ' NE1' ' A' ' 105' ' ' TRP . 84.8 mt -136.9 142.2 42.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.564 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 87.5 m95 -74.87 119.75 19.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.3 ttt-85 -109.0 140.82 42.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.907 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.783 0.325 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.511 ' CD1' ' HB3' ' A' ' 73' ' ' PRO . 97.0 m95 -76.07 131.74 39.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.945 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.8 ptpt -139.21 141.12 37.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.564 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 15.7 mtp180 -65.77 132.27 48.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -143.15 155.92 44.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -107.37 104.4 13.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.523 ' CE2' ' HB3' ' A' ' 39' ' ' TYR . 37.1 m-85 -100.2 139.97 35.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.88 ' HB1' HD11 ' A' ' 8' ' ' LEU . . . -147.65 130.85 16.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.591 ' O ' HD12 ' A' ' 8' ' ' LEU . 18.3 tp -95.43 143.02 27.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 72.1 m95 -113.48 150.98 32.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mt -58.0 -34.48 70.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.53 -23.08 3.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.48 35.71 4.58 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.458 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.45 ' O ' HD12 ' A' ' 31' ' ' LEU . 41.5 p -129.17 157.36 42.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.839 0.352 . . . . 0.0 111.141 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.562 HD22 HD11 ' A' ' 54' ' ' ILE . 12.4 tp -123.75 117.23 24.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.45 138.73 13.1 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.523 ' HB3' ' CE2' ' A' ' 29' ' ' PHE . 46.6 p90 -123.68 121.34 35.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.894 0.378 . . . . 0.0 110.91 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.48 ' CD2' ' HA ' ' A' ' 48' ' ' GLU . 3.9 m-85 -105.53 173.7 6.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.877 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -80.9 -43.98 19.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.06 -179.75 3.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 44' ' ' THR . 16.5 tt0 -68.85 -42.04 77.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 43' ' ' GLU . 20.2 p -35.27 -41.19 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.461 ' HA ' ' CG ' ' A' ' 40' ' ' TYR . . . 65.06 38.61 6.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -110.74 -8.3 14.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 48' ' ' GLU . 3.4 t70 -109.65 44.6 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.48 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . 21.6 tt0 -36.95 109.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -75.01 -43.46 53.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -164.56 173.45 12.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -144.53 121.91 11.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 35.7 m -116.01 128.36 73.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.9 t -59.26 143.81 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.562 HD11 HD22 ' A' ' 37' ' ' LEU . 17.4 mm -113.02 -39.74 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.138 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 56' ' ' PHE . 11.4 t-160 -56.55 121.58 10.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.427 ' O ' ' NH2' ' A' ' 87' ' ' ARG . 7.0 m-85 35.81 38.53 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -118.08 -27.3 6.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.568 HG11 HD11 ' A' ' 61' ' ' ILE . 85.2 t -78.11 114.13 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.2 tpt85 -73.72 -50.15 22.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -152.77 174.85 13.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.568 HD11 HG11 ' A' ' 58' ' ' VAL . 70.5 mt -152.95 116.09 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -101.66 126.26 48.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 53.1 t -127.61 130.9 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . 56.19 -130.7 49.78 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 64' ' ' GLY . 0.4 OUTLIER -34.39 -50.78 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.729 0.3 . . . . 0.0 110.901 -179.895 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -41.17 -48.47 3.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.93 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.465 -0.148 0 CA-C-O 121.58 0.575 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.511 ' HB3' ' CD1' ' A' ' 24' ' ' TRP . 53.9 Cg_endo -69.75 142.89 49.22 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.614 2.209 . . . . 0.0 112.4 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -54.9 108.67 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 131.68 -56.1 0.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.435 ' HD2' ' N ' ' A' ' 76' ' ' ARG . 8.6 mpt_? -75.02 175.49 8.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.807 0.337 . . . . 0.0 110.873 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 t -102.13 178.57 4.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -83.55 -6.92 59.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -78.98 -6.18 55.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.13 -26.23 22.13 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.461 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.2 mp -42.72 130.67 4.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.858 0.361 . . . . 0.0 110.925 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.1 tp -151.82 110.34 3.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.4 m -116.37 128.74 55.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 81.5 t -110.46 130.79 63.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -98.93 145.1 27.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 45.7 mt -114.22 152.31 31.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.427 ' NH2' ' O ' ' A' ' 56' ' ' PHE . 5.4 ptp180 -76.37 -20.43 57.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -70.31 -44.55 68.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 132.52 57.54 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.495 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.1 t -165.83 132.59 2.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.862 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -101.34 146.02 28.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.4 mt -111.89 104.83 13.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -81.84 113.82 20.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.867 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 88.4 mt -131.78 176.41 8.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.461 ' N ' ' O ' ' A' ' 15' ' ' TRP . 36.5 t -161.89 139.36 8.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -107.8 179.93 4.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.467 ' HG3' HG23 ' A' ' 98' ' ' THR . 15.9 pt-20 -88.43 -44.15 10.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.467 HG23 ' HG3' ' A' ' 97' ' ' GLU . 69.7 p -120.99 173.99 6.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.163 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 21.5 ptt-85 -72.72 -43.06 63.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -52.89 -57.4 10.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -50.5 -49.68 54.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.91 -48.97 74.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.096 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 72.7 mt -61.45 -45.23 99.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -49.52 -51.12 38.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.8 ' NE1' HD11 ' A' ' 14' ' ' LEU . 39.0 m95 -59.44 -44.51 92.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 58.2 tttt -57.14 -39.91 76.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 97.0 m -73.17 -41.64 63.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.84 -26.3 66.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 36.4 mt -86.06 -54.6 4.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.515 ' HG2' HD12 ' A' ' 61' ' ' ILE . 13.2 mmt -51.13 -40.57 58.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.869 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -60.61 -68.56 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.61 -43.98 46.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.092 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.55 -34.19 72.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -120.93 47.77 1.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.811 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.4 ' HA ' ' HD2' ' A' ' 116' ' ' PRO . 99.0 m -160.51 107.82 1.34 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.605 0.717 . . . . 0.0 111.16 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 115' ' ' THR . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.366 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.483 HD12 ' CZ3' ' A' ' 32' ' ' TRP . 2.1 tt . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.824 0.345 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.409 ' N ' HD23 ' A' ' 8' ' ' LEU . 59.3 t -86.49 -60.86 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.149 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -163.28 165.05 24.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.561 ' HA3' ' CZ2' ' A' ' 28' ' ' TRP . . . -125.36 -159.88 10.49 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 127.66 123.74 2.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 62.4 m95 -65.41 147.72 52.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.816 0.341 . . . . 0.0 110.939 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.537 HD11 ' NE1' ' A' ' 105' ' ' TRP . 39.2 mt -147.6 137.24 22.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.449 ' CH2' ' HD2' ' A' ' 26' ' ' ARG . 93.0 m95 -78.38 119.99 22.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.971 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.7 ttp85 -108.13 137.31 46.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.578 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 26.8 tt0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.796 0.331 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.578 ' CZ3' ' HB2' ' A' ' 17' ' ' GLN . 99.2 m95 -82.9 132.77 35.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.36 144.09 50.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.449 ' HD2' ' CH2' ' A' ' 15' ' ' TRP . 27.5 mtt180 -79.29 133.39 36.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -148.62 142.98 26.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.561 ' CZ2' ' HA3' ' A' ' 11' ' ' GLY . 20.8 t-105 -95.58 98.2 10.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.542 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 37.8 m-85 -83.62 115.23 22.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.51 126.84 55.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 36' ' ' THR . 51.9 tp -93.61 136.12 34.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.483 ' CZ3' HD12 ' A' ' 8' ' ' LEU . 62.1 m95 -107.07 146.07 31.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.92 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.43 ' N ' HD23 ' A' ' 33' ' ' LEU . 3.0 mt -57.59 -27.56 62.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -59.11 -16.41 19.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.46 42.06 4.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.478 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.57 ' O ' HD12 ' A' ' 31' ' ' LEU . 25.1 p -135.45 161.13 36.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 0.0 111.14 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.557 HD22 HD11 ' A' ' 54' ' ' ILE . 10.5 tp -127.76 111.22 13.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.53 131.77 7.74 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -113.55 126.83 55.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.888 0.375 . . . . 0.0 110.902 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.453 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 4.9 m-85 -116.25 171.95 7.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -52.77 -62.68 1.49 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.64 -179.61 4.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -45.2 -42.82 9.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.4 p -74.61 106.7 6.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.453 ' HB1' ' CE2' ' A' ' 40' ' ' TYR . . . -65.05 91.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -113.01 -48.94 2.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -106.38 94.19 5.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.83 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -66.11 101.23 0.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -70.63 -46.01 64.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -172.7 172.33 4.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -152.65 122.02 6.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.529 HG21 HD11 ' A' ' 92' ' ' LEU . 26.8 m -113.95 140.11 36.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.8 t -69.5 135.31 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.557 HD11 HD22 ' A' ' 37' ' ' LEU . 13.3 mm -105.3 -43.18 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 56' ' ' PHE . 14.1 t-160 -50.35 121.83 6.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 55' ' ' HIS . 42.4 m-85 36.03 45.9 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -123.39 -24.28 4.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.703 HG11 HD11 ' A' ' 61' ' ' ILE . 60.5 t -80.01 104.06 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.2 tpp85 -72.38 -39.01 68.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.437 ' OD2' ' CG ' ' A' ' 85' ' ' ASN . 2.6 p-10 -162.82 163.46 26.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.803 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.703 HD11 HG11 ' A' ' 58' ' ' VAL . 59.2 mt -147.99 122.96 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.411 ' HB3' ' CB ' ' A' ' 66' ' ' GLU . 19.1 mttm -111.22 150.92 28.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.454 HG22 HD13 ' A' ' 82' ' ' LEU . 95.6 t -141.45 133.75 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.132 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.49 -140.57 35.49 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -41.91 -36.63 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.756 0.313 . . . . 0.0 110.917 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.411 ' CB ' ' HB3' ' A' ' 62' ' ' LYS . 37.5 mt-10 -52.01 -43.45 63.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 83.2 m . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.91 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.23 0.124 0 CA-C-O 121.595 0.581 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 151.56 68.91 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 2.263 . . . . 0.0 112.305 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -38.45 145.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.95 -57.08 4.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.46 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.462 ' HD3' ' N ' ' A' ' 76' ' ' ARG . 0.7 OUTLIER -59.23 167.92 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 -179.85 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 46.3 m -125.33 168.47 13.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.836 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -62.96 -35.57 80.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.806 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.51 -9.94 10.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -87.93 -26.46 29.07 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.544 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.8 mp -48.93 142.15 6.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.847 0.356 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.454 HD13 HG22 ' A' ' 63' ' ' VAL . 10.8 tp -151.94 111.04 3.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 68.7 m -111.38 133.96 53.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.577 HG13 HG12 ' A' ' 61' ' ' ILE . 58.7 t -119.38 139.81 45.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.437 ' CG ' ' OD2' ' A' ' 60' ' ' ASP . 2.8 m120 -103.14 133.31 48.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 42.0 mt -110.93 142.72 42.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 17.6 mtp85 -51.83 -36.86 49.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -53.19 -30.26 36.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 128.12 -46.31 1.09 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 74.1 m -69.47 154.05 42.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.361 . . . . 0.0 110.879 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.419 ' HG2' ' CG ' ' A' ' 85' ' ' ASN . 62.4 mtt180 -118.02 143.55 46.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.529 HD11 HG21 ' A' ' 52' ' ' VAL . 9.9 mt -87.28 118.49 26.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -99.53 110.31 22.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.542 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 22.0 mt -132.68 174.09 10.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 15' ' ' TRP . 42.1 t -154.2 125.97 7.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.2 174.18 7.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -80.58 -33.64 35.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 81.4 p -131.33 -175.85 3.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -89.21 -14.83 35.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.808 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -80.22 -47.7 14.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.88 -38.45 82.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.73 -55.49 34.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 60.8 mt -53.43 -46.01 58.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.156 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -49.05 -51.18 32.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.107 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.537 ' NE1' HD11 ' A' ' 14' ' ' LEU . 35.9 m95 -60.92 -41.76 96.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -56.19 -42.88 77.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 87.1 m -71.49 -43.09 67.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.07 -29.82 71.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.076 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 40.9 mt -85.36 -52.41 5.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 5.8 mmt -49.74 -44.25 48.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -63.21 -63.32 1.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.17 -38.52 11.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.85 -41.75 98.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.3 t -116.28 41.84 2.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 52.0 m -157.09 104.99 1.9 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.602 0.715 . . . . 0.0 111.125 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.172 0 C-N-CA 122.7 2.266 . . . . 0.0 112.37 179.889 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m 47.95 40.37 12.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.855 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 t 60.97 38.03 17.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.67 -126.68 8.48 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.6 p -151.76 144.85 24.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 110.873 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -135.57 108.56 7.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.81 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.65 130.66 4.07 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.687 HD21 ' O ' ' A' ' 10' ' ' ARG . 3.1 tt -110.27 143.64 40.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 0.0 110.92 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.474 ' N ' HD23 ' A' ' 8' ' ' LEU . 65.7 t -91.92 -58.84 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.687 ' O ' HD21 ' A' ' 8' ' ' LEU . 36.1 ttm-85 -144.49 158.54 43.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -154.69 96.17 0.16 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.526 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -133.83 179.13 17.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.478 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 71.4 m95 -98.82 129.69 45.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.864 0.364 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.842 HD11 ' NE1' ' A' ' 105' ' ' TRP . 33.1 mt -131.64 153.86 49.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.557 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 89.8 m95 -91.03 120.86 32.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.1 ttp85 -111.61 136.77 50.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -89.3 129.31 35.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.6 t -83.88 169.81 14.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.9 t -101.84 -59.17 1.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 23.5 mt -63.34 -38.7 82.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.8 tp -93.09 -15.59 25.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.1 mtt85 43.8 52.79 6.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 55.1 ttt-85 -148.46 152.44 36.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.468 ' CH2' ' HB2' ' A' ' 95' ' ' CYS . 90.0 m95 -76.24 147.25 38.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.55 156.36 43.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.557 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 49.7 mtm180 -78.55 131.49 36.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -146.2 141.42 27.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.592 ' CH2' ' HB2' ' A' ' 30' ' ' ALA . 80.1 t90 -98.42 107.74 20.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.411 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 15.9 m-85 -95.29 133.11 39.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.858 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.592 ' HB2' ' CH2' ' A' ' 28' ' ' TRP . . . -133.22 124.76 27.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 36' ' ' THR . 21.5 tp -93.6 137.7 32.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.533 ' CZ3' HD12 ' A' ' 8' ' ' LEU . 64.8 m95 -105.17 148.95 26.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.9 mt -58.72 -36.52 74.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -53.82 -18.12 3.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.87 38.56 4.09 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.519 ' O ' HD12 ' A' ' 31' ' ' LEU . 24.4 p -126.98 159.21 34.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 111.137 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.534 ' HB2' HD11 ' A' ' 54' ' ' ILE . 10.3 tp -129.34 113.01 14.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.31 134.36 8.55 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -118.29 127.5 53.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.903 0.383 . . . . 0.0 110.881 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.548 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 1.6 m-85 -111.63 168.19 9.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.938 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -48.31 -55.92 9.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 43' ' ' GLU . 1.1 m-20 -135.66 171.82 13.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 42' ' ' ASP . 7.9 pt-20 -36.34 -42.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 67.1 p -73.44 107.33 5.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.548 ' HB1' ' CE2' ' A' ' 40' ' ' TYR . . . -70.39 84.21 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -114.35 -41.94 3.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -117.93 79.13 1.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.413 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . 5.0 pt-20 -54.82 126.22 23.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -85.28 -43.48 13.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -170.69 175.41 4.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -152.17 122.78 7.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.455 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 35.3 m -114.8 156.61 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.45 HG12 ' HB2' ' A' ' 57' ' ' ASN . 66.2 t -82.93 137.56 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.534 HD11 ' HB2' ' A' ' 37' ' ' LEU . 13.0 mm -108.43 -42.28 5.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 56' ' ' PHE . 25.7 t-80 -57.38 121.44 10.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 55' ' ' HIS . 24.6 m-85 37.05 47.4 0.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.45 ' HB2' HG12 ' A' ' 53' ' ' VAL . 4.4 t30 -128.27 -37.43 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.63 HG11 HD11 ' A' ' 61' ' ' ILE . 57.4 t -66.17 110.67 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.9 ttt85 -73.0 -41.78 63.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.445 ' C ' HG13 ' A' ' 61' ' ' ILE . 14.8 t70 -165.96 170.1 14.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.63 HD11 HG11 ' A' ' 58' ' ' VAL . 90.3 mt -151.63 126.1 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.078 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -106.08 154.24 20.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.601 HG13 ' HB1' ' A' ' 102' ' ' ALA . 99.1 t -149.15 133.88 9.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . 65.25 -143.93 46.86 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.513 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.453 ' O ' ' C ' ' A' ' 66' ' ' GLU . 48.4 tp60 -37.34 -42.8 0.51 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.737 0.303 . . . . 0.0 110.914 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' GLN . 24.9 mt-10 -33.98 -43.57 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 21.9 p -41.53 151.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -130.93 -41.47 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -124.36 40.5 3.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.2 t -137.13 144.4 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.461 ' CG ' ' HD2' ' A' ' 72' ' ' PRO . 24.3 tt0 -130.06 139.76 36.62 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.578 0.704 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.471 ' CA ' HD11 ' A' ' 81' ' ' LEU . 53.7 Cg_endo -69.71 141.46 45.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.639 2.226 . . . . 0.0 112.344 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -165.77 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.701 2.267 . . . . 0.0 112.367 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -70.72 132.44 45.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.31 -61.98 3.86 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -48.09 176.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.855 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.39 161.53 36.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -58.65 -11.39 3.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -85.45 24.37 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -137.72 -30.55 0.25 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.471 HD11 ' CA ' ' A' ' 72' ' ' PRO . 6.8 mp -36.74 151.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.767 0.317 . . . . 0.0 110.937 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.492 HD12 HG22 ' A' ' 63' ' ' VAL . 6.9 tt -168.85 125.99 0.99 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 36.1 m -129.59 140.37 51.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.578 HG13 HG12 ' A' ' 61' ' ' ILE . 61.3 t -115.7 139.88 40.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.148 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -108.25 139.93 42.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 37.6 mt -109.61 144.98 37.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -55.78 -32.41 63.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -61.81 -20.04 63.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 120.21 -49.84 0.86 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.473 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 73.2 m -61.53 152.38 30.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.348 . . . . 0.0 110.888 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -118.76 -178.65 3.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.2 mt -133.33 112.89 12.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 43.0 m80 -84.18 115.78 22.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.411 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 25.5 mt -136.36 172.62 12.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.468 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 25.2 t -160.06 120.66 3.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.31 141.43 28.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -49.15 -39.61 29.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 64.7 p -134.15 163.99 28.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -59.09 -41.42 88.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -50.72 -54.29 24.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.3 -49.2 72.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.601 ' HB1' HG13 ' A' ' 63' ' ' VAL . . . -52.46 -54.37 33.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 63.5 mt -55.6 -46.84 79.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.17 -44.52 61.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.842 ' NE1' HD11 ' A' ' 14' ' ' LEU . 20.8 m95 -70.24 -41.37 73.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.944 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 57.2 tttt -59.77 -45.29 92.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 86.4 m -72.96 -43.57 62.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.66 -30.44 70.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.054 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 58.9 mt -84.85 -58.89 2.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.581 ' HG2' HD12 ' A' ' 61' ' ' ILE . 8.0 mmt -43.45 -42.13 4.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -64.39 -62.1 1.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -48.98 -31.59 7.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -69.44 -38.93 78.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -122.65 43.07 3.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 98.3 m -159.32 104.98 1.52 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.542 0.686 . . . . 0.0 111.155 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 175.27 8.33 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.244 . . . . 0.0 112.371 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -131.04 143.22 48.54 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.557 0.694 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 119' ' ' ALA . 53.8 Cg_endo -69.76 2.81 3.2 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.674 2.249 . . . . 0.0 112.346 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 118' ' ' PRO . . . -34.14 110.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.071 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 176.09 -56.14 0.11 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.512 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -144.14 105.45 4.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.888 0.375 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 7.3 t -144.93 158.37 43.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.194 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 2.1 m -131.01 142.14 44.5 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.653 0.74 . . . . 0.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 125' ' ' SER . 53.6 Cg_endo -69.76 2.75 3.25 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.645 2.23 . . . . 0.0 112.368 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 124' ' ' PRO . 19.0 p -34.61 131.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -159.48 -157.97 8.87 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.471 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.69 161.86 44.29 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.65 2.233 . . . . 0.0 112.411 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 92.4 p -129.69 -55.05 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.863 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 36.8 m -77.31 90.34 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.82 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -113.96 142.83 45.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 110.841 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -157.3 166.91 31.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.38 44.68 97.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.464 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -71.44 130.37 41.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 110.849 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 8' ' ' LEU . 6.7 t -148.73 140.04 23.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.859 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -34.31 -32.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 6' ' ' SER . 13.5 tp -94.63 145.85 24.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 0.0 110.953 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.3 t -109.09 -58.9 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.7 ttm-85 -159.73 154.01 23.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.428 ' HA3' ' CZ2' ' A' ' 28' ' ' TRP . . . -120.28 -148.64 8.15 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 127.77 177.55 14.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 72.2 m95 -123.22 136.47 54.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.842 0.353 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.655 HD11 ' NE1' ' A' ' 105' ' ' TRP . 10.3 mt -143.47 155.56 44.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.553 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 98.5 m95 -91.23 118.85 30.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.454 ' HB2' ' CD2' ' A' ' 94' ' ' LEU . 17.4 ttt85 -108.68 143.27 37.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -81.76 157.26 24.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.0 m -92.41 179.61 5.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.5 m -83.9 -65.42 1.01 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.787 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.495 HG13 HD22 ' A' ' 21' ' ' LEU . 10.8 pt -98.78 -26.18 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.495 HD22 HG13 ' A' ' 20' ' ' ILE . 3.5 mm? -79.42 -13.18 59.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 21' ' ' LEU . 47.5 mtt180 34.58 37.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 21' ' ' LEU . 18.9 mtp85 -112.17 145.01 40.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.448 ' CD1' ' HB3' ' A' ' 73' ' ' PRO . 92.3 m95 -80.77 137.82 36.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 pttt -143.45 145.45 32.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.553 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 14.4 mtp85 -64.98 140.98 58.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -155.44 131.53 10.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.428 ' CZ2' ' HA3' ' A' ' 11' ' ' GLY . 8.8 t-105 -87.15 112.17 21.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.493 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 24.0 m-85 -98.05 148.72 23.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.918 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.32 131.81 12.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.061 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.6 tp -94.48 139.11 31.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -105.36 153.9 21.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mt -67.51 -25.46 65.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -63.51 -11.15 21.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.04 42.42 5.31 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.523 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.2 p -138.49 158.98 43.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 0.0 111.159 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.465 ' HB2' HD11 ' A' ' 54' ' ' ILE . 11.9 tp -125.97 120.25 29.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.949 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.84 139.4 11.7 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -113.88 122.82 48.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.855 0.359 . . . . 0.0 110.917 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.716 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 47.1 m-85 -113.76 170.95 7.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.95 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -67.56 -54.01 23.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -138.98 -177.24 4.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -42.79 -30.2 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.9 p -82.43 112.47 19.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.716 ' HB1' ' CE2' ' A' ' 40' ' ' TYR . . . -82.14 40.36 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -83.71 -38.07 21.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -90.59 42.16 1.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -37.55 114.76 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -86.33 -51.66 6.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -174.86 173.48 2.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -153.32 124.46 7.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.7 m -105.27 171.17 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.7 t -89.63 139.48 17.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.465 HD11 ' HB2' ' A' ' 37' ' ' LEU . 8.9 mm -108.72 -40.71 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 56' ' ' PHE . 32.5 t-80 -54.04 120.07 5.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 55' ' ' HIS . 43.5 m-85 36.82 42.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -121.51 -12.22 8.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.451 HG11 HD11 ' A' ' 61' ' ' ILE . 85.3 t -90.28 101.16 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.42 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 3.3 tpt180 -68.05 -44.66 75.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.42 ' CG ' ' O ' ' A' ' 59' ' ' ARG . 10.6 m-20 -161.44 159.68 28.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.451 HD11 HG11 ' A' ' 58' ' ' VAL . 26.2 mt -138.18 121.0 19.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.438 ' HB3' ' CB ' ' A' ' 66' ' ' GLU . 17.8 mtpp -107.01 140.5 39.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.464 HG22 ' CD1' ' A' ' 82' ' ' LEU . 86.0 t -138.22 140.67 39.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . 50.4 -126.88 25.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 64' ' ' GLY . 32.7 mt-30 -35.15 -55.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.775 0.321 . . . . 0.0 110.928 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.438 ' CB ' ' HB3' ' A' ' 62' ' ' LYS . 22.9 mt-10 -36.5 -50.52 0.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 59.6 m -74.81 119.62 19.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -120.19 -63.25 1.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -40.96 -47.98 3.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.8 p -79.21 145.68 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -123.51 140.78 34.8 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.636 0.731 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.43 ' HB3' ' CD1' ' A' ' 81' ' ' LEU . 53.8 Cg_endo -69.76 148.51 65.25 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.651 2.234 . . . . 0.0 112.377 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.463 ' HG2' ' CG ' ' A' ' 76' ' ' ARG . 53.8 Cg_endo -69.78 -172.94 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.68 2.253 . . . . 0.0 112.332 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.489 ' C ' ' CD ' ' A' ' 74' ' ' GLU . 2.8 tm-20 -76.87 122.84 25.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.6 -34.47 5.55 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.463 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 6.5 mpt_? -70.34 -177.39 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 0.0 110.847 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.4 m -128.79 153.33 47.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.3 mtm180 -61.5 -53.99 49.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -46.51 -20.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -74.32 -38.54 45.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.43 ' CD1' ' HB3' ' A' ' 72' ' ' PRO . 5.5 mp -37.82 142.51 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.464 ' CD1' HG22 ' A' ' 63' ' ' VAL . 6.5 tp -156.77 115.65 3.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.9 m -116.77 113.73 22.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.176 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 92' ' ' LEU . 97.3 t -98.66 123.9 51.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -86.58 139.25 31.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 78.0 mt -119.0 143.42 47.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -53.8 -44.82 70.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -43.88 -29.77 0.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 107.33 34.05 3.01 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.485 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 m -149.9 107.52 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.904 0.383 . . . . 0.0 110.852 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.16 175.85 3.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 84' ' ' VAL . 8.6 mt -127.62 108.16 10.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -77.96 123.66 27.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.493 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 39.2 mt -146.75 174.62 11.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 51.6 t -156.1 115.12 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.578 ' HB3' ' HB2' ' A' ' 102' ' ' ALA . . . -87.37 150.7 23.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -52.92 -60.19 3.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 44.4 p -113.59 177.75 4.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -71.83 -31.81 66.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -61.43 -63.48 1.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -46.56 -45.0 18.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.578 ' HB2' ' HB3' ' A' ' 96' ' ' ALA . . . -57.08 -51.71 68.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.062 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 52.6 mt -59.3 -41.35 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.124 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -47.54 -53.94 13.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.655 ' NE1' HD11 ' A' ' 14' ' ' LEU . 69.9 m95 -61.38 -44.36 97.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 28.9 tttm -53.45 -46.62 69.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 94.5 m -72.49 -43.91 63.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.147 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.54 -31.12 71.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 42.9 mt -84.85 -54.34 4.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.417 ' HG2' HD12 ' A' ' 61' ' ' ILE . 10.2 mmt -47.23 -36.49 9.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.64 -67.92 0.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -46.58 -38.91 10.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.084 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.83 -39.36 77.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.4 t -117.61 43.26 2.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 15.6 m -153.86 104.93 2.48 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.562 0.696 . . . . 0.0 111.191 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.405 ' O ' ' HD3' ' A' ' 118' ' ' PRO . 54.1 Cg_endo -69.68 174.48 9.38 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.337 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -102.2 96.77 7.43 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.576 0.703 . . . . 0.0 111.117 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 116' ' ' PRO . 53.8 Cg_endo -69.71 2.78 3.2 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.248 . . . . 0.0 112.36 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -166.24 131.05 2.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 144.6 -171.41 25.92 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -82.58 134.7 35.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 39.5 m -91.65 94.21 9.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 64.5 t -120.97 86.55 42.12 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.656 0.741 . . . . 0.0 111.118 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 175.93 7.43 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.722 2.282 . . . . 0.0 112.339 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 29.9 m -69.93 114.88 8.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -145.47 146.93 17.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -28.45 25.15 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.714 2.276 . . . . 0.0 112.351 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 45.4 m -90.53 48.44 1.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 130' ' ' GLY . 13.3 t -82.73 86.1 6.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 129' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.367 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.3 p -111.95 163.48 14.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.888 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.5 m -122.79 -54.31 1.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.818 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.89 -60.4 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.468 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.0 t -133.62 84.8 2.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 110.837 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -170.77 106.39 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.796 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.473 ' CA ' ' HG ' ' A' ' 33' ' ' LEU . . . -87.01 73.27 2.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.4 tp -100.12 139.2 36.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 0.0 110.93 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.405 HG23 HD23 ' A' ' 33' ' ' LEU . 77.2 t -101.68 -57.04 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.3 ttm-85 -153.84 160.15 42.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -131.18 -119.04 2.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 77.57 -178.97 51.38 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 39.2 m95 -113.45 154.04 27.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.739 0.304 . . . . 0.0 110.94 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.47 HD11 ' NE1' ' A' ' 105' ' ' TRP . 93.7 mt -149.99 145.07 26.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.948 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.542 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 95.9 m95 -81.43 123.64 28.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.3 ttt85 -109.5 141.13 42.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -115.41 157.14 24.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -105.0 -175.28 2.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 t -98.33 -46.86 5.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.3 pt -91.85 -38.11 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 22' ' ' ARG . 56.9 mt -80.41 -20.39 44.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 21' ' ' LEU . 0.7 OUTLIER 34.44 41.04 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.8 mtt-85 -119.52 139.82 51.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -79.7 145.21 33.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -146.81 137.57 23.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.542 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 21.5 mtp180 -70.14 129.79 40.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -143.16 150.45 39.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -101.91 101.88 12.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.641 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 33.2 m-85 -91.79 141.08 29.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.65 124.97 12.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.523 HD12 ' O ' ' A' ' 36' ' ' THR . 16.1 tp -91.91 135.9 33.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -106.11 146.48 30.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.473 ' HG ' ' CA ' ' A' ' 7' ' ' GLY . 3.1 mt -55.01 -35.08 64.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -50.3 -18.41 0.61 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.59 30.29 7.74 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.523 ' O ' HD12 ' A' ' 31' ' ' LEU . 16.3 p -124.34 163.17 22.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.827 0.346 . . . . 0.0 111.144 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.458 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 7.5 tp -130.29 117.9 20.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.37 139.92 13.03 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.443 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.431 ' CZ ' ' HB2' ' A' ' 50' ' ' ASP . 19.5 p90 -124.77 115.59 20.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.893 0.378 . . . . 0.0 110.959 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.514 ' CD2' ' HA ' ' A' ' 45' ' ' ALA . 5.7 m-85 -102.61 176.18 5.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.951 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -66.84 -47.68 71.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 43' ' ' GLU . 10.5 p-10 -151.85 -175.97 5.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 42' ' ' ASP . 8.5 tm-20 -34.99 -41.73 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.4 p -67.16 98.81 0.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.514 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . . . -82.4 44.67 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -99.65 -30.84 11.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 48' ' ' GLU . 4.3 t0 -87.85 43.72 1.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 47' ' ' ASP . 30.0 tt0 -35.81 102.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -75.42 -55.31 5.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.431 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 3.9 m-20 -159.2 176.18 12.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.417 ' CZ ' ' HB3' ' A' ' 51' ' ' ARG . 14.6 ttp-105 -154.92 118.98 4.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.1 m -107.31 159.94 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.0 t -86.35 139.58 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.458 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 19.8 mm -108.61 -39.2 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -60.39 120.82 10.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 38.32 47.03 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -126.05 -32.25 2.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 77.3 t -71.22 119.93 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -82.52 -42.68 18.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -162.84 168.81 20.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 77.4 mt -146.71 120.84 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -104.68 145.12 30.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.8 t -143.7 137.21 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.44 -132.56 32.69 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.481 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 67' ' ' CYS . 14.1 pt20 -50.22 -39.82 45.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.73 0.3 . . . . 0.0 110.881 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 65' ' ' GLN . 10.8 mt-10 -34.76 -33.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 65' ' ' GLN . 20.2 p -45.41 167.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.444 ' CG ' ' N ' ' A' ' 69' ' ' ASP . 6.6 pt20 -132.66 -53.78 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.933 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.444 ' N ' ' CG ' ' A' ' 68' ' ' GLN . 9.3 p30 -126.58 8.45 7.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.427 HG22 ' ND1' ' A' ' 93' ' ' HIS . 11.1 t -89.05 139.04 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -128.54 138.65 33.53 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.574 0.702 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 147.1 62.19 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.229 . . . . 0.0 112.357 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 74' ' ' GLU . 53.2 Cg_endo -69.78 151.83 69.04 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.641 2.227 . . . . 0.0 112.365 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 73' ' ' PRO . 4.2 tp10 -37.57 120.61 0.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.79 -58.18 0.63 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.467 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -52.72 173.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.353 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.2 t -115.91 165.12 13.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.2 mtp180 -74.76 -4.71 39.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.57 -22.58 28.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -82.25 -12.17 81.12 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.524 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.2 mp -54.17 147.39 13.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 tp -158.8 112.72 2.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 96.9 m -115.05 115.69 27.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.182 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 44.8 t -94.53 146.19 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.095 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -116.18 134.51 54.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 37.8 mt -107.13 156.43 18.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -78.69 -23.56 45.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -62.47 -52.62 62.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 143.09 52.83 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -174.64 139.22 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 0.0 110.859 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -103.5 171.44 7.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.0 mt -126.32 102.29 7.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.427 ' ND1' HG22 ' A' ' 70' ' ' VAL . 13.0 m170 -79.38 98.29 6.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.804 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.641 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 10.0 mt -118.37 176.87 5.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 45.7 t -155.89 126.93 7.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.422 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -93.67 173.18 7.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -74.98 -46.71 33.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.6 p -132.2 143.26 49.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.435 ' NH1' ' OD1' ' A' ' 100' ' ' ASP . 0.0 OUTLIER -40.9 -27.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.435 ' OD1' ' NH1' ' A' ' 99' ' ' ARG . 2.7 m-20 -59.28 -66.0 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.422 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 2.6 t70 -50.05 -49.44 51.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.38 -46.39 37.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.162 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 60.6 mt -69.67 -37.46 74.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.56 -43.13 68.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.47 ' NE1' HD11 ' A' ' 14' ' ' LEU . 68.5 m95 -67.69 -44.0 78.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 37.2 tttt -51.1 -43.18 61.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 91.4 m -73.06 -43.61 61.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.04 -29.87 70.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.04 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 54.9 mt -85.49 -48.99 8.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 19.8 mmt -55.13 -42.01 72.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -65.89 -64.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.13 -37.94 23.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.103 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -64.19 -40.87 97.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.3 t -115.7 45.52 1.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 96.9 m -165.71 105.04 0.73 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.54 0.686 . . . . 0.0 111.147 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 -177.98 2.16 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.655 2.236 . . . . 0.0 112.314 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -120.79 135.38 24.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.549 0.69 . . . . 0.0 111.115 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -14.21 35.83 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.706 2.27 . . . . 0.0 112.346 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -95.87 163.67 13.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 115.12 143.54 8.1 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.473 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.17 106.92 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.899 0.38 . . . . 0.0 111.13 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 27.2 m -95.94 99.7 11.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 35.6 m -92.57 147.49 34.38 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.629 0.728 . . . . 0.0 111.115 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -41.11 4.46 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.674 2.25 . . . . 0.0 112.319 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 6.7 t -174.8 172.75 2.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 157.61 143.27 3.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -16.96 37.69 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.692 2.262 . . . . 0.0 112.332 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.7 m -76.54 143.94 40.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 29.2 t -88.42 165.74 14.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.536 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m -71.95 93.19 1.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.84 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.7 m -122.17 136.8 54.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.22 74.83 0.14 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.452 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.7 p -113.33 96.29 5.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.868 0.366 . . . . 0.0 110.846 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.9 p -54.06 -176.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.44 -57.4 0.43 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 tp -93.79 137.02 33.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.857 0.361 . . . . 0.0 110.899 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.6 t -91.29 -61.64 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -151.54 155.28 38.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -135.2 136.24 8.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.509 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -173.15 142.24 6.58 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.44 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -68.74 133.7 48.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.795 0.331 . . . . 0.0 110.934 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.437 HD11 ' NE1' ' A' ' 105' ' ' TRP . 66.7 mt -131.13 143.48 50.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.516 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 73.7 m95 -84.24 121.07 26.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.4 ttt-85 -118.57 144.31 46.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -108.61 133.61 52.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 t -74.01 -177.03 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.7 m -100.52 -49.01 4.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 42.8 mt -83.53 -50.67 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.78 -17.17 63.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.937 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.7 mtp180 41.5 30.64 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.8 ttt180 -113.62 156.86 22.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -89.07 142.57 27.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -144.25 141.23 29.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.516 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 9.2 mtt180 -73.79 138.12 44.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -151.53 139.47 20.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -88.39 103.53 15.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.566 ' CE2' ' CD2' ' A' ' 39' ' ' TYR . 30.9 m-85 -90.81 122.26 33.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.61 139.14 54.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.127 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 31.3 tp -106.6 133.69 50.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -103.84 148.96 25.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mt -59.33 -27.64 66.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -59.26 -15.56 16.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.75 35.52 6.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.519 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.2 p -127.97 145.31 51.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.816 0.341 . . . . 0.0 111.156 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.64 ' HB2' HD11 ' A' ' 54' ' ' ILE . 11.2 tp -110.64 117.69 34.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.52 127.18 5.17 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.46 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.566 ' CD2' ' CE2' ' A' ' 29' ' ' PHE . 11.8 p90 -110.82 150.86 28.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.893 0.378 . . . . 0.0 110.925 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.574 ' CD2' ' HA ' ' A' ' 48' ' ' GLU . 2.4 m-85 -136.49 174.92 10.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -77.52 -31.38 53.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 44' ' ' THR . 33.6 t0 -162.55 179.6 7.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -39.88 -27.12 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 42' ' ' ASP . 61.9 p -67.56 97.62 0.61 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.492 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . . . -70.69 -17.98 62.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -60.08 -13.91 14.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -103.93 45.18 0.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.574 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . 6.3 pt-20 -49.94 106.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -73.28 -35.72 66.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 5.1 t70 -174.85 174.27 2.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -155.62 119.65 4.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.461 HG22 ' HB3' ' A' ' 37' ' ' LEU . 22.6 m -115.3 164.87 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 63.1 t -90.01 136.04 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.64 HD11 ' HB2' ' A' ' 37' ' ' LEU . 32.6 mm -107.61 -43.24 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 56' ' ' PHE . 14.5 t60 -49.3 117.54 2.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.436 ' C ' ' O ' ' A' ' 55' ' ' HIS . 19.3 m-85 35.0 47.98 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -123.52 -24.47 4.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.64 HG11 HD11 ' A' ' 61' ' ' ILE . 60.0 t -75.51 106.65 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.084 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.429 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 4.6 tpt180 -73.73 -38.35 64.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 59' ' ' ARG . 18.7 m-20 -162.12 171.64 17.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.746 HD12 ' HG2' ' A' ' 110' ' ' MET . 83.5 mt -152.82 118.2 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.144 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -105.22 143.04 33.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.6 t -140.74 134.53 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . 61.45 -133.66 47.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.52 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 66' ' ' GLU . 45.8 tt0 -37.43 -50.14 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.735 0.302 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 65' ' ' GLN . 26.4 mt-10 -37.48 -51.21 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 81.9 m -75.65 116.36 16.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -125.08 1.17 7.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -110.89 34.94 3.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.8 p -156.33 139.88 7.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -96.8 127.88 37.73 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.607 0.717 . . . . 0.0 110.958 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 142.74 48.67 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.728 2.285 . . . . 0.0 112.314 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 162.78 40.78 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.709 2.272 . . . . 0.0 112.301 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -66.54 131.24 45.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.51 -59.52 0.5 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.504 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -64.86 -178.98 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.792 0.33 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.1 m -123.46 164.69 18.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -56.25 -43.56 78.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -54.3 -16.94 2.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -77.23 -32.47 48.05 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 mp -46.24 151.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 110.948 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.7 tp -166.23 110.78 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.4 m -112.2 133.63 54.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 98.8 t -113.69 129.02 70.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -94.21 139.71 30.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.6 mt -117.87 145.23 44.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 88' ' ' GLU . 25.0 mtt180 -61.85 -45.15 95.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 87' ' ' ARG . 9.9 pt-20 -36.67 -47.1 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 132.73 45.11 0.13 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.468 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 t -161.55 160.37 28.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 0.0 110.847 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.1 ptt-85 -117.43 164.15 15.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.9 mt -121.92 107.46 12.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -82.69 110.65 17.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.821 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 16.2 mt -130.76 167.82 18.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.477 ' N ' ' O ' ' A' ' 15' ' ' TRP . 2.7 t -150.61 123.24 8.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -86.73 -176.94 5.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.464 ' HG2' ' N ' ' A' ' 98' ' ' THR . 24.4 pm0 -96.72 -32.66 12.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.464 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 80.5 p -135.1 151.76 51.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.165 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 30.0 ptt180 -55.82 -41.62 74.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -55.76 -51.82 66.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.77 -51.15 70.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.55 -52.35 23.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.132 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 85.9 mt -59.09 -40.76 81.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.175 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.49 -47.45 66.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.102 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.437 ' NE1' HD11 ' A' ' 14' ' ' LEU . 32.0 m95 -60.87 -47.13 87.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -50.03 -40.86 46.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 87.2 m -73.61 -44.97 55.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.2 -29.41 70.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 44.4 mt -85.41 -51.91 6.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.746 ' HG2' HD12 ' A' ' 61' ' ' ILE . 8.6 mmt -57.34 -32.6 66.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -68.77 -67.6 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.16 -28.56 7.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.162 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -65.42 -43.53 90.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 67.1 m -114.01 42.72 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.821 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 13.4 m -157.36 105.08 1.85 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.588 0.708 . . . . 0.0 111.138 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 175.69 7.82 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.689 2.259 . . . . 0.0 112.306 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -101.85 143.88 27.48 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.515 0.674 . . . . 0.0 111.131 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -19.88 35.75 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.671 2.247 . . . . 0.0 112.347 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.38 -60.22 3.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 112.25 90.64 1.93 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.504 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -122.4 176.57 5.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.853 0.358 . . . . 0.0 111.098 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 81.6 p -126.55 168.28 14.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.152 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 13.6 m -103.62 146.07 31.81 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.659 0.742 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 179.03 3.99 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.701 2.267 . . . . 0.0 112.364 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.5 t -53.7 145.42 15.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -108.75 82.13 0.3 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -24.65 29.3 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.695 2.264 . . . . 0.0 112.303 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 70.2 p -80.22 136.7 36.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 130' ' ' GLY . 6.6 t -98.81 113.42 25.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.845 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 129' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.46 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.2 m -102.65 134.21 46.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.36 . . . . 0.0 110.842 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 m 64.42 46.41 3.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.32 138.43 14.89 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.454 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -138.32 112.1 8.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.889 0.376 . . . . 0.0 110.845 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.0 p -105.82 158.5 16.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.38 116.47 0.55 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.471 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.769 HD11 ' HB1' ' A' ' 30' ' ' ALA . 25.5 tp -96.3 143.69 27.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.835 0.35 . . . . 0.0 110.944 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 36.7 t -99.58 -60.75 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 10' ' ' ARG . 3.4 ptp180 -150.24 173.65 13.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.42 -147.45 4.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.24 159.77 10.96 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 53.2 m95 -101.03 140.99 34.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.767 0.318 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.466 HD11 ' NE1' ' A' ' 105' ' ' TRP . 24.1 mt -139.11 143.66 38.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.553 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 86.6 m95 -84.65 115.56 22.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.448 ' HB2' ' CD2' ' A' ' 94' ' ' LEU . 16.8 ttp85 -108.2 139.73 42.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -94.07 118.22 31.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.1 m -56.92 177.65 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -95.21 -57.64 2.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.471 HG23 ' HG ' ' A' ' 21' ' ' LEU . 2.7 tp -80.29 -37.6 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 23' ' ' ARG . 18.9 mt -82.19 -15.64 52.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 40.04 25.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 21' ' ' LEU . 19.1 mtm180 -110.66 145.91 37.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.512 ' CG ' ' HB3' ' A' ' 73' ' ' PRO . 98.8 m95 -68.19 144.09 55.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -143.43 145.82 32.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.553 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 28.0 mtm180 -76.08 124.3 27.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -140.22 132.09 27.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 46.6 t90 -91.91 104.79 17.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -95.3 137.8 33.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.769 ' HB1' HD11 ' A' ' 8' ' ' LEU . . . -138.86 143.84 38.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.053 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.424 HD12 ' O ' ' A' ' 36' ' ' THR . 52.7 tp -96.51 148.04 23.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.95 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -116.39 156.17 27.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mt -66.12 -20.29 66.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -83.92 20.13 1.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 57.28 58.32 15.17 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.498 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.424 ' O ' HD12 ' A' ' 31' ' ' LEU . 19.1 p -145.08 153.69 41.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 0.0 111.115 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.454 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 11.5 tp -122.68 107.0 11.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.6 129.63 8.53 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.47 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -115.69 145.45 42.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.926 0.393 . . . . 0.0 110.912 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.522 ' CD2' ' HA ' ' A' ' 48' ' ' GLU . 1.2 m-85 -125.42 173.03 9.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.946 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 -63.23 -45.81 89.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -134.6 168.72 18.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -44.56 -39.5 4.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 46' ' ' GLN . 77.4 p -65.3 88.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.123 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.47 82.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 44' ' ' THR . 37.4 mt-30 -124.04 -47.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.61 73.01 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.522 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . 7.3 pt-20 -55.01 114.66 1.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -68.8 -48.12 64.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -166.32 175.95 7.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 37.9 ttp180 -144.82 122.83 12.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.4 m -119.75 126.07 74.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.9 t -57.39 140.97 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.454 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 17.1 mm -109.79 -39.68 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -58.14 122.46 13.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 37.51 41.05 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -117.6 -37.49 3.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.4 t -67.17 122.6 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.146 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.3 ttt85 -85.41 -35.65 21.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -171.5 160.86 6.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.8 mt -141.38 127.22 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.472 ' CE ' ' HB3' ' A' ' 66' ' ' GLU . 2.9 mmmm -110.39 162.65 14.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 51.1 t -149.23 149.57 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.73 -133.95 52.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 67' ' ' CYS . 44.6 tt0 -47.99 -50.07 28.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.802 0.334 . . . . 0.0 110.941 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.472 ' HB3' ' CE ' ' A' ' 62' ' ' LYS . 19.0 mt-10 -39.76 -25.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.842 ' SG ' HD23 ' A' ' 81' ' ' LEU . 31.6 p -43.76 167.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -85.79 71.26 10.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 t0 38.41 37.19 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.492 ' O ' HD21 ' A' ' 81' ' ' LEU . 14.1 p -103.02 135.22 41.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -89.45 140.07 28.36 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.586 0.708 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 157.31 60.7 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.688 2.259 . . . . 0.0 112.321 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.512 ' HB3' ' CG ' ' A' ' 24' ' ' TRP . 54.1 Cg_endo -69.74 146.5 60.48 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.374 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -40.71 127.57 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.27 -63.11 0.54 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.435 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -55.98 174.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.782 0.325 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 74.8 m -110.38 174.7 5.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.7 mtm-85 -77.56 -33.4 54.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.02 -9.32 37.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -83.14 -20.77 60.14 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.506 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.842 HD23 ' SG ' ' A' ' 67' ' ' CYS . 1.8 mp -50.98 145.71 7.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.93 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 tp -161.71 110.39 1.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.1 m -112.26 144.37 41.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 46.5 t -124.39 136.35 60.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.165 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -102.24 136.06 42.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 70.4 mt -104.86 141.78 35.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -62.38 -31.0 71.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -55.85 -46.34 78.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 134.89 54.34 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.499 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 51.0 m -161.78 165.3 28.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.892 0.377 . . . . 0.0 110.799 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -123.99 158.45 32.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.849 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.0 mt -125.54 101.59 6.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -81.12 117.58 21.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.82 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.448 ' CD2' ' HB2' ' A' ' 16' ' ' ARG . 63.3 mt -137.07 163.61 30.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 37.4 t -148.05 126.01 12.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.812 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.75 173.14 7.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 98' ' ' THR . 17.6 pt-20 -76.24 -46.82 26.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.443 ' N ' ' HG3' ' A' ' 97' ' ' GLU . 82.5 p -124.8 165.04 18.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -69.11 -12.06 61.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -75.9 -54.03 7.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.99 -37.92 77.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.47 -51.43 69.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 80.3 mt -59.04 -46.35 91.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.1 -44.4 52.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.466 ' NE1' HD11 ' A' ' 14' ' ' LEU . 14.8 m95 -68.31 -44.19 75.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.959 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.5 tttm -57.14 -42.26 80.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 95.0 m -74.44 -45.99 42.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.85 -30.19 70.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.404 HD22 HD12 ' A' ' 54' ' ' ILE . 61.1 mt -85.05 -55.96 3.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 10.5 mmt -50.92 -33.21 23.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -73.02 -64.17 1.02 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.15 -33.26 11.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.077 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -67.91 -35.62 78.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 92.2 p -117.91 37.47 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 7.0 m -152.58 105.01 2.72 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.602 0.715 . . . . 0.0 111.155 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 174.03 10.09 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.709 2.273 . . . . 0.0 112.344 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -110.67 85.07 4.52 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.54 0.686 . . . . 0.0 111.073 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 87.15 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 2.252 . . . . 0.0 112.371 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -161.6 126.07 3.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -164.96 61.05 0.24 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.471 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.81 156.32 1.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.854 0.359 . . . . 0.0 111.104 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 73.3 p -82.01 -39.81 23.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.137 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 3.1 p -78.83 129.26 74.18 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.606 0.717 . . . . 0.0 111.142 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 123.4 10.08 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.706 2.271 . . . . 0.0 112.347 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 59.1 p -126.66 150.91 48.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.846 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -150.08 143.71 11.06 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.473 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 90.89 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.686 2.258 . . . . 0.0 112.323 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 73.4 p -99.79 95.39 6.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 34.7 t -104.45 128.97 52.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.823 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.464 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -164.81 154.25 13.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.892 0.377 . . . . 0.0 110.889 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t 39.0 43.58 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.6 177.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.477 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.2 p -111.35 122.51 48.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.87 0.367 . . . . 0.0 110.876 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.7 p -108.9 90.44 3.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.58 -53.04 4.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.543 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.473 HD23 ' N ' ' A' ' 9' ' ' VAL . 3.2 tt -103.73 133.92 47.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.473 ' N ' HD23 ' A' ' 8' ' ' LEU . 89.6 t -85.23 -56.83 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.2 ttm-85 -165.41 148.19 7.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.553 ' HA3' ' CZ2' ' A' ' 28' ' ' TRP . . . -143.62 137.31 7.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.484 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.26 149.02 17.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.495 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 49.0 m95 -68.87 142.57 54.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.814 0.34 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.742 HD11 ' NE1' ' A' ' 105' ' ' TRP . 33.6 mt -151.29 139.51 20.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.539 ' CH2' ' CD ' ' A' ' 26' ' ' ARG . 99.1 m95 -74.83 123.34 24.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.9 ttp85 -119.1 139.3 52.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.425 ' NE2' ' CZ2' ' A' ' 24' ' ' TRP . 17.5 mt-30 -84.53 144.99 28.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.6 m -65.26 -177.53 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 m -73.04 -68.75 0.46 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.826 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.3 pt -124.32 34.08 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.1 tp -120.95 -14.68 8.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 50.07 49.48 20.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -125.08 128.16 48.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.425 ' CZ2' ' NE2' ' A' ' 17' ' ' GLN . 98.6 m95 -74.92 131.78 40.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -125.42 150.28 47.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.539 ' CD ' ' CH2' ' A' ' 15' ' ' TRP . 36.4 mtm180 -92.28 119.57 31.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -139.46 169.91 16.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.553 ' CZ2' ' HA3' ' A' ' 11' ' ' GLY . 13.2 t-105 -113.74 117.54 31.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -107.3 130.67 54.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.47 136.42 36.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.071 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 30.3 tp -95.11 146.7 24.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -112.27 163.92 13.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mt -71.82 -20.96 61.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -80.22 11.28 3.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.41 55.57 22.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.9 p -141.2 136.65 31.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.841 0.353 . . . . 0.0 111.152 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.541 ' HB2' HD11 ' A' ' 54' ' ' ILE . 8.5 tp -107.16 107.6 18.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.83 141.46 16.0 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.505 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -123.37 141.15 52.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.925 0.393 . . . . 0.0 110.911 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.48 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 1.4 m-85 -124.06 159.6 29.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -56.99 -45.38 83.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -104.39 163.07 12.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -50.0 -38.21 36.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.93 -178.89 6.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.161 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -106.65 95.93 6.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -125.39 -46.02 1.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.82 74.24 0.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -40.36 132.37 2.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -103.37 -54.85 2.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -164.58 175.16 10.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.7 ttm105 -154.87 121.3 5.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.7 m -113.79 128.65 70.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.174 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.7 t -57.03 137.3 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.541 HD11 ' HB2' ' A' ' 37' ' ' LEU . 23.1 mm -107.38 -38.94 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 56' ' ' PHE . 8.6 t-80 -46.84 116.8 1.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 55' ' ' HIS . 86.7 m-85 36.66 41.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -126.81 16.57 7.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 69.6 t -111.12 102.92 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -59.66 -60.52 3.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -161.63 144.78 12.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.496 HG12 HG13 ' A' ' 84' ' ' VAL . 86.0 mt -116.76 121.61 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.444 ' HB3' ' CB ' ' A' ' 66' ' ' GLU . 76.8 mttt -102.74 155.39 18.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.6 t -149.06 132.97 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.099 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.57 -125.05 9.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 66' ' ' GLU . 27.9 mt-30 -58.95 -47.24 85.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.725 0.297 . . . . 0.0 110.917 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.444 ' CB ' ' HB3' ' A' ' 62' ' ' LYS . 41.6 mt-10 -35.21 -45.14 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 m -42.31 153.92 0.06 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 69' ' ' ASP . 41.4 tp60 -72.35 81.08 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 68' ' ' GLN . 2.6 m-20 35.07 37.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.4 t -74.13 137.44 23.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -93.82 129.35 38.31 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.61 0.719 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 148.18 64.57 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -163.69 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.335 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -77.01 130.82 37.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.839 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.28 -55.01 3.21 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.454 ' N ' ' CD ' ' A' ' 76' ' ' ARG . 5.5 mpt_? -60.56 175.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.809 0.338 . . . . 0.0 110.889 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 t -135.68 -178.31 5.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.1 mmm-85 -75.06 -1.0 20.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -102.07 15.76 28.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.805 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -124.97 -22.72 1.91 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.2 mp -46.39 153.39 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.825 0.345 . . . . 0.0 110.935 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.5 tp -164.15 112.64 1.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 88.5 m -117.64 137.58 52.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.496 HG13 HG12 ' A' ' 61' ' ' ILE . 47.2 t -116.99 149.87 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -120.04 130.08 54.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.8 mt -105.17 149.9 25.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 34.8 mtt180 -71.97 -26.97 62.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -60.79 -15.39 29.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.74 53.46 0.98 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.518 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 m -168.02 146.61 4.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.889 0.376 . . . . 0.0 110.853 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.4 mtm180 -115.2 170.69 8.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.803 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.0 mt -132.27 103.3 6.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -79.2 97.28 6.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.2 mt -114.57 164.84 13.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 8.8 t -147.72 121.57 9.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -88.0 175.88 7.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.457 ' HG2' ' N ' ' A' ' 98' ' ' THR . 0.8 OUTLIER -90.06 -31.79 17.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.457 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 77.1 p -137.42 160.34 39.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.147 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -62.37 -41.21 98.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.836 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -55.45 -53.45 56.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.67 -46.43 81.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.62 -57.39 10.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 46.7 mt -49.23 -45.63 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -47.97 -54.49 12.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.742 ' NE1' HD11 ' A' ' 14' ' ' LEU . 24.8 m95 -56.37 -45.69 80.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 66.5 tttt -53.02 -46.98 68.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 37.5 m -72.03 -39.0 69.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.165 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.66 -31.44 72.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 53.5 mt -88.62 -47.63 8.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 8.2 mmt -56.33 -38.6 71.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -66.03 -62.31 1.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.48 -42.25 64.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.107 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.02 -33.17 70.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.865 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 48.5 m -121.7 44.48 2.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 92.7 m -166.16 111.48 0.73 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.549 0.69 . . . . 0.0 111.143 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 167.85 23.31 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.691 2.261 . . . . 0.0 112.352 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.16 141.71 35.33 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.613 0.72 . . . . 0.0 111.089 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -8.01 22.51 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.712 2.274 . . . . 0.0 112.318 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -109.94 158.81 17.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.062 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -144.81 69.34 0.4 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.28 -62.42 1.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.817 0.341 . . . . 0.0 111.084 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 89.5 m -73.14 142.24 47.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.649 HG23 ' HD2' ' A' ' 124' ' ' PRO . 5.4 p -48.8 138.67 12.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.635 0.731 . . . . 0.0 111.092 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.649 ' HD2' HG23 ' A' ' 123' ' ' VAL . 54.1 Cg_endo -69.74 146.11 59.31 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.717 2.278 . . . . 0.0 112.361 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 91.2 p -59.02 170.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -54.97 165.3 3.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.472 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 128' ' ' SER . 53.7 Cg_endo -69.74 -4.9 14.94 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.668 2.246 . . . . 0.0 112.398 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 127' ' ' PRO . 61.5 m -37.1 -56.91 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 96.5 p -70.19 120.63 16.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.465 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -172.08 126.47 0.56 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.88 0.372 . . . . 0.0 110.858 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.4 p -122.04 170.5 9.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.837 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.76 73.46 1.2 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.8 p -162.52 157.75 22.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.875 0.369 . . . . 0.0 110.855 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.4 m -53.06 150.84 5.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.08 85.23 1.12 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.483 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.442 HD23 ' N ' ' A' ' 9' ' ' VAL . 4.6 tt -109.98 140.37 44.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.833 0.349 . . . . 0.0 110.911 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.442 ' N ' HD23 ' A' ' 8' ' ' LEU . 87.5 t -97.57 -61.88 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.8 tpm_? -135.91 144.57 45.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -150.23 107.45 0.35 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.532 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -147.94 161.87 28.64 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.445 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 58.3 m95 -80.5 133.15 35.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.783 0.325 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.668 HD11 ' NE1' ' A' ' 105' ' ' TRP . 25.7 mt -140.72 139.34 34.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.554 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 94.3 m95 -76.02 119.13 19.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.465 ' HB2' HD23 ' A' ' 94' ' ' LEU . 24.8 ttp85 -110.36 149.18 30.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -112.24 104.64 12.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 p -50.98 175.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 53.1 p -111.44 -20.67 12.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.6 mp -94.16 -39.9 10.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.553 HD23 ' HB3' ' A' ' 23' ' ' ARG . 7.4 tp -94.6 -21.01 19.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 34.9 mtt-85 52.68 49.82 19.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.553 ' HB3' HD23 ' A' ' 21' ' ' LEU . 21.1 ttt180 -139.32 151.56 46.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.521 ' CH2' ' SG ' ' A' ' 95' ' ' CYS . 99.8 m95 -78.71 147.67 33.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.423 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -154.39 143.31 21.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.554 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 37.0 mtt180 -75.45 122.98 24.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -134.66 155.29 50.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.431 ' CE3' ' HA ' ' A' ' 43' ' ' GLU . 37.2 t90 -106.74 106.13 16.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' A' ' 39' ' ' TYR . 33.6 m-85 -96.3 141.1 30.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.428 ' HB1' HD11 ' A' ' 8' ' ' LEU . . . -143.25 127.96 18.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.108 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.428 ' CD1' HG13 ' A' ' 54' ' ' ILE . 17.8 tp -91.73 138.48 31.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 62.3 m95 -105.21 164.23 11.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 mt -76.87 -33.23 57.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.2 p30 -55.78 -22.8 26.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.01 40.82 2.38 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.453 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.4 p -133.68 155.72 49.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.368 . . . . 0.0 111.111 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.553 HD22 HD11 ' A' ' 54' ' ' ILE . 12.7 tp -125.9 116.74 21.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.77 139.01 11.45 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.493 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.573 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 28.3 p90 -122.49 118.14 27.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.903 0.383 . . . . 0.0 110.871 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.515 ' CG ' ' HA ' ' A' ' 45' ' ' ALA . 5.7 m-85 -109.68 168.1 9.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -55.79 -54.87 39.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.806 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -124.61 177.23 6.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.431 ' HA ' ' CE3' ' A' ' 28' ' ' TRP . 1.2 pm0 -61.7 -21.68 64.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.2 p -59.03 -24.59 62.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.169 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.515 ' HA ' ' CG ' ' A' ' 40' ' ' TYR . . . 52.84 43.76 31.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.075 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -84.95 -53.14 5.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -90.78 104.71 17.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.48 ' HG3' ' CE2' ' A' ' 40' ' ' TYR . 10.7 tt0 -78.05 100.6 6.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -67.48 -49.92 61.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -169.56 172.12 7.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 51' ' ' ARG . 17.3 ttp-105 -146.76 125.07 12.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.851 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.48 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 27.3 m -117.16 126.03 74.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.5 t -59.84 139.66 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.082 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.553 HD11 HD22 ' A' ' 37' ' ' LEU . 22.4 mm -107.09 -41.23 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 56' ' ' PHE . 19.4 t-80 -43.17 108.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 55' ' ' HIS . 64.9 m-85 36.84 47.99 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -124.92 11.34 8.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 70.5 t -101.18 134.85 40.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -98.39 -35.96 10.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -174.54 158.83 2.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.491 HD12 ' HG2' ' A' ' 110' ' ' MET . 97.1 mt -141.6 118.19 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -107.05 140.25 40.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.478 HG22 ' CD1' ' A' ' 82' ' ' LEU . 90.0 t -131.26 135.33 59.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.92 -133.89 43.56 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 66' ' ' GLU . 22.8 pt20 -42.9 -46.89 5.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.317 . . . . 0.0 110.857 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.423 ' N ' ' HG3' ' A' ' 65' ' ' GLN . 25.8 mt-10 -40.03 -50.58 2.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.556 ' HB3' HG11 ' A' ' 70' ' ' VAL . 36.1 m -52.37 139.78 23.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -133.65 155.13 50.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.5 t70 59.54 30.82 20.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.556 HG11 ' HB3' ' A' ' 67' ' ' CYS . 5.4 p -140.87 128.94 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -103.7 135.18 19.4 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.646 0.736 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.48 ' HB3' HD11 ' A' ' 81' ' ' LEU . 54.0 Cg_endo -69.69 137.29 35.32 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.682 2.254 . . . . 0.0 112.392 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.421 ' HB3' ' CG ' ' A' ' 24' ' ' TRP . 53.5 Cg_endo -69.76 165.88 29.48 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.361 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -57.1 133.34 54.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.75 -62.71 1.6 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.447 ' HD2' ' N ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -51.52 -174.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 110.849 -179.852 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.8 m -131.25 166.23 21.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -60.19 -47.58 85.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -57.56 -31.59 66.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -59.47 -34.13 79.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.56 HD12 ' SG ' ' A' ' 95' ' ' CYS . 4.3 mp -39.04 146.52 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.863 0.363 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.478 ' CD1' HG22 ' A' ' 63' ' ' VAL . 7.0 tp -162.67 110.97 1.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 98.8 m -116.09 132.61 56.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 48.0 t -109.61 139.9 30.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -112.25 137.88 49.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 88.0 mt -103.26 139.52 38.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -49.53 -29.73 7.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 89' ' ' GLY . 16.4 pt-20 -65.63 -46.12 80.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.443 ' N ' ' HG3' ' A' ' 88' ' ' GLU . . . 150.42 -52.17 0.52 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 75.4 p -56.85 143.21 38.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 110.854 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -114.44 177.36 4.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.6 mt -133.36 125.04 28.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -96.91 110.09 22.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.819 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.465 HD23 ' HB2' ' A' ' 16' ' ' ARG . 12.2 mt -133.93 160.65 37.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.56 ' SG ' HD12 ' A' ' 81' ' ' LEU . 22.1 m -138.03 148.58 45.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -118.63 166.15 13.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -67.29 -50.44 60.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 82.3 p -133.71 166.98 21.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -62.31 -40.01 94.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.04 -58.25 7.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.92 -40.91 85.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.66 -50.47 73.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 29.9 mt -54.3 -41.9 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.74 -44.13 58.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.668 ' NE1' HD11 ' A' ' 14' ' ' LEU . 27.4 m95 -64.7 -46.1 83.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.426 ' HG3' ' CG2' ' A' ' 61' ' ' ILE . 35.0 tttt -53.18 -43.48 67.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 90.6 m -74.04 -43.77 56.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.137 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.67 -32.29 71.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.11 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 65.9 mt -84.97 -50.73 7.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.491 ' HG2' HD12 ' A' ' 61' ' ' ILE . 8.5 mmt -54.94 -43.97 73.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -56.42 -64.14 0.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.12 -41.23 62.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.084 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -61.15 -34.69 75.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.5 p -117.39 35.11 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.427 ' HA ' ' HD2' ' A' ' 116' ' ' PRO . 54.3 m -151.22 104.95 2.96 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.537 0.684 . . . . 0.0 111.193 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 115' ' ' THR . 53.3 Cg_endo -69.75 175.35 8.21 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.686 2.258 . . . . 0.0 112.307 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.626 ' HB1' ' HD2' ' A' ' 118' ' ' PRO . . . -125.0 161.42 49.41 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.577 0.703 . . . . 0.0 111.098 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.626 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 53.8 Cg_endo -69.77 0.61 5.4 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.352 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -129.21 153.67 47.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -131.0 123.79 3.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -133.87 173.17 11.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 111.128 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 11.7 t -155.14 139.05 16.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 35.3 m -136.19 150.24 70.41 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.665 0.745 . . . . 0.0 111.136 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -179.54 3.0 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.677 2.251 . . . . 0.0 112.322 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.7 m -148.39 171.8 15.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -82.02 -97.78 0.46 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.5 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -50.45 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.677 2.251 . . . . 0.0 112.374 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.8 m -58.34 171.05 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.0 m -57.71 156.0 9.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m -95.56 82.24 3.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.898 0.38 . . . . 0.0 110.87 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.1 t 42.42 43.64 3.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.81 -40.82 0.4 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.522 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.1 t -117.35 130.0 56.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 110.874 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.6 p -87.68 143.7 27.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' CA ' ' HG ' ' A' ' 33' ' ' LEU . . . 108.37 -52.09 0.67 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.522 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.416 HD13 ' HB1' ' A' ' 30' ' ' ALA . 39.3 tp -96.01 142.83 27.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.847 0.356 . . . . 0.0 110.924 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.415 HG11 HD23 ' A' ' 31' ' ' LEU . 98.5 t -98.09 -57.85 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.5 ttt85 -166.9 148.67 6.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -125.71 -159.93 10.47 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.443 ' N ' ' CZ3' ' A' ' 28' ' ' TRP . . . 133.31 126.72 2.71 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.551 ' CH2' ' HA ' ' A' ' 42' ' ' ASP . 72.2 m95 -63.95 133.22 52.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.816 0.341 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.724 HD11 ' NE1' ' A' ' 105' ' ' TRP . 18.1 mt -136.93 141.96 42.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.563 ' CZ3' ' HG3' ' A' ' 26' ' ' ARG . 87.6 m95 -76.59 116.48 17.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.8 ttt85 -109.49 134.59 51.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -84.58 163.36 19.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.8 m -114.71 174.04 6.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.827 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.5 t -103.43 -40.69 6.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.828 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 46.1 mm -93.15 -37.57 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -86.84 -20.42 27.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 44.96 44.91 8.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.5 ttt-85 -138.26 151.38 47.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -77.09 139.76 40.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.3 pttt -136.2 143.02 44.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.563 ' HG3' ' CZ3' ' A' ' 15' ' ' TRP . 1.7 mtp-105 -74.42 126.68 31.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -142.94 131.45 22.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.443 ' CZ3' ' N ' ' A' ' 12' ' ' GLY . 24.6 t-105 -90.99 104.52 17.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.537 ' CD2' ' HB3' ' A' ' 39' ' ' TYR . 26.3 m-85 -90.39 139.65 30.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.416 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -140.85 125.44 17.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.461 HD13 HG13 ' A' ' 54' ' ' ILE . 19.9 tp -91.79 134.35 34.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 76.2 m95 -102.35 153.23 20.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.481 ' N ' HD23 ' A' ' 33' ' ' LEU . 2.8 mt -62.08 -33.82 75.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -53.11 -22.08 5.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.86 38.7 3.32 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.455 ' O ' HD12 ' A' ' 31' ' ' LEU . 33.2 p -132.23 158.94 40.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 111.142 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.477 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 13.3 tp -127.1 118.31 24.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.91 137.33 9.54 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.482 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.537 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 34.2 p90 -120.86 117.15 26.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.897 0.38 . . . . 0.0 110.92 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.739 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 3.5 m-85 -98.76 173.66 6.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.604 ' CE1' ' OD1' ' A' ' 42' ' ' ASP . 3.1 p-80 -57.65 -40.78 80.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.604 ' OD1' ' CE1' ' A' ' 41' ' ' HIS . 21.1 p30 -144.11 178.5 7.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -44.7 -52.64 8.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.3 p -65.74 93.79 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.739 ' HB1' ' CE2' ' A' ' 40' ' ' TYR . . . -56.98 95.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -123.78 -43.69 2.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -101.2 84.42 2.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -58.38 93.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -66.51 -47.11 74.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -168.83 175.74 5.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 21.4 ttp180 -152.37 118.9 5.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.459 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 35.9 m -112.85 129.64 68.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 98.6 t -62.7 139.89 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.477 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 19.4 mm -107.35 -41.31 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.431 ' O ' ' C ' ' A' ' 56' ' ' PHE . 18.4 t-80 -41.85 114.01 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 55' ' ' HIS . 63.6 m-85 35.69 43.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -121.64 15.64 11.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.8 t -106.96 119.61 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.8 ttt180 -85.47 -48.48 8.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -157.62 167.84 28.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.529 HD12 ' HG2' ' A' ' 110' ' ' MET . 98.2 mt -149.68 111.19 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -103.43 144.02 31.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.4 t -136.9 131.93 47.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.11 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.83 -122.32 11.69 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.479 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 66' ' ' GLU . 25.0 mt-30 -57.57 -49.68 75.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.746 0.308 . . . . 0.0 110.927 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 65' ' ' GLN . 29.8 mt-10 -34.29 -45.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.7 t -74.58 128.91 36.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -117.29 166.64 12.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 57.07 38.51 29.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 78.6 t -148.49 123.25 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -103.9 132.45 21.01 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.596 0.712 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 147.24 62.12 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.323 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 179.77 3.5 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.683 2.256 . . . . 0.0 112.329 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -70.15 134.2 47.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.56 -64.54 1.85 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.529 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -58.08 172.1 0.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.346 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.2 m -119.62 164.91 15.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -57.23 -48.59 78.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.3 -31.08 2.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.26 -36.12 92.99 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.0 mp -39.02 146.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.5 tp -163.13 110.37 1.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 85.0 m -118.06 137.5 52.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.505 HG21 ' CD1' ' A' ' 109' ' ' LEU . 58.6 t -116.52 133.11 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -99.28 137.32 37.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 89.5 mt -109.84 145.88 36.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 88' ' ' GLU . 14.1 mmm180 -57.8 -50.57 72.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 87' ' ' ARG . 9.5 pt-20 -36.79 -46.17 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 129.86 51.64 0.11 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.2 t -159.2 146.85 17.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.886 0.374 . . . . 0.0 110.795 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.3 ptt-85 -109.46 157.18 19.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.5 mt -117.42 106.0 12.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.416 ' O ' HD23 ' A' ' 94' ' ' LEU . 67.1 m-70 -78.21 120.94 23.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.486 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 27.8 mt -147.04 160.14 42.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 37.6 t -148.18 124.95 11.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.05 178.6 5.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -75.72 -35.72 60.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 77.5 p -146.4 175.85 10.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 100' ' ' ASP . 23.2 ptt180 -67.94 -42.41 81.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.453 ' N ' ' HG3' ' A' ' 99' ' ' ARG . 0.3 OUTLIER -47.93 -59.34 3.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.13 -42.31 76.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.33 -50.19 74.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 74.9 mt -52.44 -46.69 47.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -47.12 -49.45 22.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.04 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.724 ' NE1' HD11 ' A' ' 14' ' ' LEU . 33.5 m95 -61.9 -46.54 88.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.6 tttm -51.23 -43.47 61.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.935 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 88.4 m -73.09 -41.06 64.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.15 -32.16 72.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.057 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.505 ' CD1' HG21 ' A' ' 84' ' ' VAL . 37.5 mt -85.71 -44.53 12.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.529 ' HG2' HD12 ' A' ' 61' ' ' ILE . 12.6 mmt -62.82 -37.34 86.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -64.61 -64.61 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.07 -36.95 31.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.01 -37.36 78.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 59.8 p -111.87 32.81 5.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.427 ' HA ' ' HD2' ' A' ' 116' ' ' PRO . 98.9 m -151.79 105.01 2.86 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.571 0.7 . . . . 0.0 111.124 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 115' ' ' THR . 54.0 Cg_endo -69.73 178.58 4.41 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.373 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -167.66 143.02 3.22 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.606 0.717 . . . . 0.0 111.105 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 0.11 6.12 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.273 . . . . 0.0 112.362 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -68.91 162.09 27.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.133 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -169.72 -149.22 6.2 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.514 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -149.41 155.97 41.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.85 0.357 . . . . 0.0 111.077 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 5.0 t -105.46 -19.96 13.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.429 HG23 ' HD2' ' A' ' 124' ' ' PRO . 7.3 p -103.92 133.13 20.42 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.601 0.715 . . . . 0.0 111.123 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.429 ' HD2' HG23 ' A' ' 123' ' ' VAL . 53.9 Cg_endo -69.79 -176.26 1.44 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 20.6 t -159.27 132.95 7.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -112.27 166.88 12.24 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.488 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 131.57 21.53 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 2.258 . . . . 0.0 112.341 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 23.1 t -94.36 104.2 16.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 77.5 p 40.66 42.26 1.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.823 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.481 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -111.44 169.46 8.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.904 0.383 . . . . 0.0 110.86 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 t -56.52 -50.53 71.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.64 109.44 3.78 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.519 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.7 m -81.99 103.74 11.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.942 0.401 . . . . 0.0 110.812 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 m -111.6 100.85 9.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.28 -44.5 3.38 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.481 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.42 ' CD1' ' HB1' ' A' ' 30' ' ' ALA . 8.9 tp -96.46 144.74 26.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.895 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.42 ' CB ' HD23 ' A' ' 31' ' ' LEU . 91.6 t -100.21 -59.25 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.687 ' NH1' ' HB1' ' A' ' 104' ' ' ALA . 40.2 ttt180 -151.31 160.88 43.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -149.06 150.86 23.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.65 126.43 0.86 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 79.1 m95 -53.67 132.91 41.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.82 0.343 . . . . 0.0 110.907 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.5 mt -133.1 154.3 50.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -93.24 116.96 29.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.418 ' HB2' ' CD2' ' A' ' 94' ' ' LEU . 37.7 ttp85 -111.38 134.33 53.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -84.02 122.77 29.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.4 t -60.21 175.0 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.4 t -108.15 -39.38 5.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.826 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 38.1 pt -94.11 -21.31 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.146 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.4 tp -107.6 -16.47 14.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.7 mtt85 48.67 38.64 11.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -127.54 138.69 52.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -64.08 143.56 57.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.44 153.12 46.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -81.03 133.91 35.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -153.58 141.29 20.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.455 ' CE3' ' HA ' ' A' ' 43' ' ' GLU . 49.3 t90 -96.48 101.69 13.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.414 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 44.7 m-85 -84.03 126.51 33.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.446 ' HB2' ' CZ3' ' A' ' 28' ' ' TRP . . . -127.89 125.14 39.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.106 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.42 HD23 ' CB ' ' A' ' 9' ' ' VAL . 25.0 tp -93.71 135.85 34.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -105.38 138.18 41.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.425 ' N ' HD23 ' A' ' 33' ' ' LEU . 3.0 mt -52.29 -24.61 7.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -61.68 -8.65 4.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.53 34.81 11.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.6 p -130.77 151.17 51.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.841 0.353 . . . . 0.0 111.173 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.626 ' HB2' HD11 ' A' ' 54' ' ' ILE . 10.2 tp -119.36 116.82 26.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.14 133.69 8.32 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.534 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -119.04 120.81 38.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.901 0.381 . . . . 0.0 110.933 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.424 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . 3.5 m-85 -109.44 171.06 7.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -55.91 -52.24 64.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -129.09 173.29 10.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.455 ' HA ' ' CE3' ' A' ' 28' ' ' TRP . 24.8 mt-10 -53.26 -42.26 66.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.4 p -44.71 -37.74 3.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.424 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . . . 62.91 48.9 3.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -85.33 -36.64 20.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -105.72 107.12 17.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -75.2 115.27 14.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -83.3 -59.58 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -159.56 169.37 23.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -141.98 119.56 11.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.439 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 27.1 m -112.84 131.69 63.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 66.9 t -65.22 137.51 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.626 HD11 ' HB2' ' A' ' 37' ' ' LEU . 29.7 mm -105.74 -41.55 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -54.93 120.13 6.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 38.32 47.56 1.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -124.73 -36.44 2.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.662 HG11 HD11 ' A' ' 61' ' ' ILE . 88.4 t -70.26 115.87 10.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -80.32 -46.55 15.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -154.96 163.76 39.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.662 HD11 HG11 ' A' ' 58' ' ' VAL . 97.0 mt -147.41 136.56 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.443 ' HB3' ' CB ' ' A' ' 66' ' ' GLU . 40.9 mttp -125.23 140.54 52.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.546 HG13 ' HB1' ' A' ' 102' ' ' ALA . 47.6 t -135.11 129.45 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.67 -130.33 20.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.476 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -44.98 -47.66 11.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.767 0.318 . . . . 0.0 110.934 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.443 ' CB ' ' HB3' ' A' ' 62' ' ' LYS . 22.0 mt-10 -40.09 -50.86 2.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 90.7 m -51.87 138.94 23.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.85 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -134.78 151.25 50.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.948 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.6 t70 63.19 33.72 14.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.411 HG21 ' CD2' ' A' ' 93' ' ' HIS . 59.4 t -142.94 140.65 27.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -120.33 130.99 24.58 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.581 0.705 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.479 ' HB3' HD11 ' A' ' 81' ' ' LEU . 54.6 Cg_endo -69.72 145.51 57.57 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.683 2.255 . . . . 0.0 112.35 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 170.1 17.41 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.698 2.265 . . . . 0.0 112.343 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -60.29 130.17 45.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.66 -57.42 1.34 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.506 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.456 ' HD2' ' N ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -51.11 -175.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 110.885 -179.894 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 62.5 m -125.29 169.45 12.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.1 mtt180 -72.29 -42.45 65.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.93 -33.21 72.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -55.7 -36.2 64.63 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.479 HD11 ' HB3' ' A' ' 72' ' ' PRO . 4.4 mp -38.79 142.84 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.823 0.344 . . . . 0.0 110.917 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.2 tp -152.39 116.07 4.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.2 m -118.12 123.17 44.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 57.7 t -106.35 142.55 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.134 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -112.92 130.23 56.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.5 mt -98.32 160.46 14.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -87.37 -18.36 30.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 89' ' ' GLY . 0.5 OUTLIER -68.99 -44.96 71.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.899 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.448 ' N ' ' OE1' ' A' ' 88' ' ' GLU . . . 139.01 57.48 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.442 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -172.66 163.55 5.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.884 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.9 ptp85 -128.01 161.19 29.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.9 mt -120.99 123.75 43.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.411 ' CD2' HG21 ' A' ' 70' ' ' VAL . 13.4 m80 -99.35 109.72 22.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.418 ' CD2' ' HB2' ' A' ' 16' ' ' ARG . 32.7 mt -132.16 172.02 12.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 52.8 t -150.31 126.25 10.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.622 ' HB3' ' HB2' ' A' ' 102' ' ' ALA . . . -95.83 153.65 17.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -47.4 -55.94 7.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 68.5 p -132.32 173.99 10.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 -61.08 -39.97 91.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -54.69 -55.43 29.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.59 -46.14 89.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.622 ' HB2' ' HB3' ' A' ' 96' ' ' ALA . . . -54.8 -53.19 58.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.085 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 19.1 mt -52.13 -45.86 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.158 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.687 ' HB1' ' NH1' ' A' ' 10' ' ' ARG . . . -46.2 -61.93 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 38.6 m95 -51.7 -43.49 62.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.442 ' HG3' ' CG2' ' A' ' 61' ' ' ILE . 15.5 tttt -54.28 -46.01 72.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 53.0 m -72.43 -42.18 65.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.145 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.64 -32.92 72.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 60.7 mt -81.07 -51.17 8.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.547 ' HG2' HD12 ' A' ' 61' ' ' ILE . 6.6 mmt -54.4 -43.56 71.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -61.39 -66.97 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.23 -36.74 21.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.154 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -62.51 -40.38 96.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 65.8 m -115.52 49.42 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.84 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 98.4 m -166.79 112.05 0.68 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.602 0.715 . . . . 0.0 111.15 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -170.96 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.703 2.269 . . . . 0.0 112.346 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.733 ' HB1' ' HD2' ' A' ' 118' ' ' PRO . . . -167.84 165.2 8.4 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.532 0.682 . . . . 0.0 111.092 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.733 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 53.7 Cg_endo -69.78 1.12 4.73 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.7 2.267 . . . . 0.0 112.369 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -42.36 -65.78 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 54.59 89.56 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.462 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -159.32 175.91 12.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.833 0.349 . . . . 0.0 111.089 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 68.6 m -148.93 133.49 17.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.469 ' CG2' ' HD2' ' A' ' 124' ' ' PRO . 12.0 p -171.19 136.61 1.05 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.623 0.725 . . . . 0.0 111.09 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 123' ' ' VAL . 53.8 Cg_endo -69.75 136.14 32.26 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.646 2.23 . . . . 0.0 112.37 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 64.8 p -107.0 89.13 2.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 44.93 83.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.453 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -1.09 7.86 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.696 2.264 . . . . 0.0 112.364 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 25.1 t -46.51 -62.31 1.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 21.6 t -88.11 94.51 9.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.832 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.461 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.6 t -70.3 154.47 41.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.876 0.369 . . . . 0.0 110.862 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.3 p -66.31 115.67 6.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.49 98.17 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.506 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.3 m -160.54 121.58 2.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.371 . . . . 0.0 110.883 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 t -127.87 109.44 11.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.41 -48.15 3.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.571 ' CD1' ' HB1' ' A' ' 30' ' ' ALA . 24.4 tp -96.71 138.34 34.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.883 0.373 . . . . 0.0 110.906 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.3 t -93.91 -59.5 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.101 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -158.95 147.54 18.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -120.13 -158.62 10.6 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 126.69 160.93 10.74 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.519 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 33.3 m95 -97.49 141.38 30.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 mt -143.32 143.84 31.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.962 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.428 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 75.7 m95 -74.12 118.13 16.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.7 ttp85 -108.99 134.22 51.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -87.52 130.88 34.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.931 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.1 p -67.37 -175.47 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 m -115.54 -17.67 11.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.2 tt -122.87 -33.47 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.167 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.419 HD23 ' HB2' ' A' ' 23' ' ' ARG . 4.0 tp -85.87 -4.41 59.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 21' ' ' LEU . 56.8 mtt85 37.07 38.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.419 ' HB2' HD23 ' A' ' 21' ' ' LEU . 50.0 mtt-85 -132.5 149.0 52.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.459 ' CH2' ' SG ' ' A' ' 95' ' ' CYS . 92.3 m95 -74.77 147.41 41.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -142.47 138.23 30.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.428 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 21.2 mtp180 -71.07 137.76 49.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.822 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -149.63 176.27 10.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.519 ' CG ' ' HA ' ' A' ' 43' ' ' GLU . 73.0 t90 -127.18 106.2 9.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.966 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -94.31 149.2 21.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.571 ' HB1' ' CD1' ' A' ' 8' ' ' LEU . . . -150.29 127.63 11.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 51.8 tp -92.14 136.99 32.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -109.23 147.96 31.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.0 mt -58.36 -24.33 59.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -67.41 -5.98 17.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.27 47.6 8.12 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.454 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.4 p -139.99 130.97 26.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 111.139 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.633 ' HB2' HD11 ' A' ' 54' ' ' ILE . 10.9 tp -99.19 107.55 19.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.57 128.63 7.54 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.462 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.508 ' CZ ' ' HB2' ' A' ' 50' ' ' ASP . 11.2 p90 -114.9 142.1 47.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.884 0.373 . . . . 0.0 110.939 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.491 ' CD2' ' HA ' ' A' ' 48' ' ' GLU . 3.2 m-85 -124.6 155.7 38.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.2 m80 -45.14 -59.68 2.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -100.83 -176.49 3.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.519 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 8.0 pt-20 -84.31 15.18 3.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.4 p -124.03 125.63 44.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.59 87.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -133.45 -46.49 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -113.74 86.04 2.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.491 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . 23.9 tt0 -56.85 123.21 14.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -94.61 -52.63 4.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.508 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 2.9 m-20 -165.83 171.31 12.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -155.35 128.41 8.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.7 m -120.72 141.81 39.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 92.9 t -66.32 137.35 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.633 HD11 ' HB2' ' A' ' 37' ' ' LEU . 27.7 mm -107.81 -42.51 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 56' ' ' PHE . 6.5 t-160 -51.66 121.63 6.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.877 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 55' ' ' HIS . 57.9 m-85 36.14 48.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -125.64 -29.93 3.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 40.8 t -69.41 112.81 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.4 ttt85 -80.2 -38.87 30.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -165.52 166.45 18.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.619 HD12 ' HG2' ' A' ' 110' ' ' MET . 79.9 mt -147.69 120.02 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -103.36 152.59 21.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.596 HG22 HD12 ' A' ' 82' ' ' LEU . 29.9 t -149.12 135.89 12.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.89 -144.65 40.27 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 66' ' ' GLU . 37.5 tp60 -42.32 -38.91 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.782 0.325 . . . . 0.0 110.918 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 65' ' ' GLN . 12.4 mt-10 -34.25 -36.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 65' ' ' GLN . 16.0 p -41.04 158.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -114.41 -70.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.965 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -118.41 9.07 12.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.1 t -75.34 121.29 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -95.55 127.61 41.12 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.576 0.703 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.587 ' HB3' HD11 ' A' ' 81' ' ' LEU . 54.2 Cg_endo -69.73 145.01 56.02 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.732 2.288 . . . . 0.0 112.362 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.49 ' HG2' ' CG ' ' A' ' 76' ' ' ARG . 54.2 Cg_endo -69.72 153.72 68.77 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.707 2.272 . . . . 0.0 112.333 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -61.77 127.73 32.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.69 -48.28 1.03 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.526 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.49 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 7.5 mmt180 -68.92 -173.0 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.815 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.436 ' OG ' ' N ' ' A' ' 78' ' ' ARG . 1.5 t -118.6 174.78 6.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.436 ' N ' ' OG ' ' A' ' 77' ' ' SER . 38.8 mtm180 -85.24 -9.66 57.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -83.33 -14.15 53.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -87.06 -14.17 64.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.617 HD12 ' SG ' ' A' ' 95' ' ' CYS . 5.4 mp -55.91 124.97 19.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.837 0.351 . . . . 0.0 110.907 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.596 HD12 HG22 ' A' ' 63' ' ' VAL . 3.3 tp -137.87 122.25 18.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.9 m -120.72 134.52 55.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.104 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 48.1 t -118.53 138.61 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -107.76 134.66 50.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.3 mt -111.81 150.79 29.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.963 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -66.05 -32.9 74.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -58.11 -16.49 13.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.91 67.54 1.05 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.4 t -174.64 127.4 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.827 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.0 ptt-85 -93.63 153.01 18.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 mt -110.86 127.66 55.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -97.41 99.71 11.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.7 mt -128.43 161.17 30.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.963 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.617 ' SG ' HD12 ' A' ' 81' ' ' LEU . 11.8 m -144.57 145.18 31.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -113.32 171.85 7.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -72.03 -49.56 35.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 80.9 p -130.77 167.96 18.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.154 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -56.28 -43.15 78.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.59 -63.67 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.19 -48.68 34.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.03 -50.37 66.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 66.9 mt -62.45 -47.18 94.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -46.83 -49.27 20.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -61.37 -45.28 95.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -52.6 -39.23 61.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 67.6 m -72.89 -37.99 67.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.85 -27.08 63.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 20.6 mt -88.63 -45.42 9.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.619 ' HG2' HD12 ' A' ' 61' ' ' ILE . 11.0 mmt -63.14 -30.34 71.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -75.47 -64.17 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -51.72 -31.74 27.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.089 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.71 -40.24 80.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.2 t -115.13 44.72 1.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 98.4 m -163.36 106.6 0.98 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.584 0.707 . . . . 0.0 111.118 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 177.65 5.34 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.74 2.293 . . . . 0.0 112.349 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.451 ' HB1' ' HD2' ' A' ' 118' ' ' PRO . . . -118.37 156.47 50.91 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.599 0.714 . . . . 0.0 111.088 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.451 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 53.2 Cg_endo -69.82 -21.61 32.94 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.707 2.271 . . . . 0.0 112.307 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.52 141.0 28.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -145.7 86.32 0.17 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -135.06 175.19 9.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.857 0.361 . . . . 0.0 111.073 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 36.1 m -95.4 128.85 42.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.148 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.434 HG22 ' H ' ' A' ' 123' ' ' VAL . 0.4 OUTLIER -67.96 141.67 94.67 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.59 0.71 . . . . 0.0 111.134 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 125' ' ' SER . 54.1 Cg_endo -69.78 1.33 4.55 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.716 2.277 . . . . 0.0 112.314 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 124' ' ' PRO . 12.1 t -34.54 -42.02 0.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 58.86 -156.53 23.63 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 90.7 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.655 2.237 . . . . 0.0 112.375 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 46.8 t -159.52 161.9 35.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.8 t -152.17 144.5 24.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.492 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -63.35 163.7 10.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.857 0.361 . . . . 0.0 110.848 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 m -112.35 -52.31 2.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.4 -107.59 3.29 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.52 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -71.17 154.04 42.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.848 0.356 . . . . 0.0 110.872 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 m -89.42 117.6 28.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.414 ' CA ' ' HG ' ' A' ' 33' ' ' LEU . . . 123.94 -53.09 0.76 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.535 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.1 tp -100.18 149.85 23.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.339 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 82.6 t -110.64 -58.1 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.5 ttt85 -152.95 161.55 42.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -150.35 -175.81 22.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.452 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 144.32 176.51 18.4 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -101.6 135.33 43.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.769 0.318 . . . . 0.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.561 HD11 ' NE1' ' A' ' 105' ' ' TRP . 9.9 mt -139.22 148.32 42.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.558 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 86.3 m95 -82.22 120.29 25.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.0 ttp85 -108.47 140.18 42.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -104.83 152.88 22.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.4 t -104.91 174.06 6.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.836 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.3 m -91.62 -36.27 13.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.1 mp -99.66 -44.21 11.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.097 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 23' ' ' ARG . 4.7 tp -76.13 -19.97 58.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.5 mmm-85 38.74 26.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 21' ' ' LEU . 42.8 mtp180 -112.41 144.36 41.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.446 ' CE2' ' HD3' ' A' ' 73' ' ' PRO . 95.8 m95 -77.59 145.49 36.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.31 140.22 30.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.558 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 37.8 mtm180 -74.36 132.44 42.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -149.43 150.75 32.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 24.2 t-105 -100.72 119.38 38.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -105.35 149.02 26.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.94 126.65 9.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.593 HD12 ' O ' ' A' ' 36' ' ' THR . 41.5 tp -92.8 133.73 35.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -102.35 146.31 28.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.955 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.414 ' HG ' ' CA ' ' A' ' 7' ' ' GLY . 3.0 mt -54.72 -29.46 53.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.37 -15.49 10.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.79 38.13 5.89 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.442 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.593 ' O ' HD12 ' A' ' 31' ' ' LEU . 7.2 p -131.69 161.6 32.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 111.125 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.459 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 13.4 tp -123.15 111.33 16.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.08 116.34 2.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -105.05 136.58 44.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.846 0.355 . . . . 0.0 110.91 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.534 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 1.0 OUTLIER -116.64 175.62 5.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.21 -49.42 69.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -146.74 -175.45 4.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -41.03 -39.64 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.9 p -68.63 102.45 1.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.534 ' HB1' ' CE2' ' A' ' 40' ' ' TYR . . . -78.48 49.6 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -106.28 -25.98 11.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 48' ' ' GLU . 9.0 m-20 -101.3 46.05 0.95 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 47' ' ' ASP . 40.0 tt0 -34.44 113.5 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.8 -54.08 6.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -165.63 -179.44 5.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -156.08 128.54 7.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.41 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 29.6 m -126.08 130.27 72.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.417 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 60.9 t -58.02 137.47 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.459 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 14.8 mm -107.88 -42.62 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 56' ' ' PHE . 6.5 t-160 -50.93 122.74 7.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' HIS . 86.5 m-85 37.18 35.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 53' ' ' VAL . 11.4 t30 -111.61 -31.33 7.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.619 HG11 HD11 ' A' ' 61' ' ' ILE . 89.3 t -68.42 107.71 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.9 ttt-85 -79.72 -39.82 30.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -158.21 167.43 29.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.619 HD11 HG11 ' A' ' 58' ' ' VAL . 59.6 mt -150.86 115.66 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -103.38 139.97 38.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.461 HG22 HD12 ' A' ' 82' ' ' LEU . 54.3 t -139.92 130.68 31.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.87 -136.82 33.39 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -40.12 -40.78 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.759 0.314 . . . . 0.0 110.9 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -38.68 -54.13 1.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.2 m -48.41 151.75 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -145.17 137.85 26.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 62.53 46.3 5.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.8 p -141.15 134.98 31.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.093 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.456 ' NE2' ' HD2' ' A' ' 72' ' ' PRO . 69.8 tp60 -102.25 122.57 46.27 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.614 0.721 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.456 ' HD2' ' NE2' ' A' ' 71' ' ' GLN . 54.1 Cg_endo -69.73 153.16 69.38 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.72 2.28 . . . . 0.0 112.341 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.457 ' HG2' ' CG ' ' A' ' 76' ' ' ARG . 54.1 Cg_endo -69.67 144.63 55.14 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.698 2.265 . . . . 0.0 112.364 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -54.33 136.08 43.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.72 -58.51 1.85 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.478 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.457 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 3.9 mmp_? -55.03 -173.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 110.857 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 p -125.02 167.41 14.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -75.83 -14.71 60.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.841 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.38 10.24 5.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -107.54 -25.32 6.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.3 mp -42.77 131.51 4.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.363 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.461 HD12 HG22 ' A' ' 63' ' ' VAL . 5.1 tp -152.84 121.91 6.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 98.3 m -125.91 135.18 51.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 90.2 t -114.48 127.92 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -94.3 128.33 40.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.3 mt -104.23 149.01 25.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 88' ' ' GLU . 27.5 mtt180 -64.56 -48.04 76.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 89' ' ' GLY . 11.7 pt-20 -38.08 -42.9 0.69 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.426 ' N ' ' HG3' ' A' ' 88' ' ' GLU . . . 124.12 53.38 0.19 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.469 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.5 m -162.92 127.05 2.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 0.0 110.857 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.3 ptt-85 -89.93 152.24 21.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.6 mt -115.56 102.08 9.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -78.44 105.01 9.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 58.5 mt -127.59 167.88 15.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 27.2 t -151.7 139.02 19.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -103.79 175.4 5.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -79.77 -45.81 18.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 67.4 p -131.81 165.53 23.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -55.85 -43.89 77.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.87 -65.17 0.61 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -48.73 -50.79 32.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.3 -57.31 9.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.096 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 20.0 mt -54.76 -46.48 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.177 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -46.69 -53.78 10.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.057 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.561 ' NE1' HD11 ' A' ' 14' ' ' LEU . 32.8 m95 -58.78 -44.68 90.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -53.45 -50.09 66.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.907 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 31.9 m -66.58 -44.17 82.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.73 -28.55 69.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 40.1 mt -84.88 -52.17 6.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 14.3 mmt -53.13 -31.29 41.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -74.7 -70.06 0.43 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.26 -26.82 3.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -71.76 -40.58 69.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 50.6 m -120.16 44.7 2.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.423 ' HA ' ' HD2' ' A' ' 116' ' ' PRO . 17.1 m -151.93 104.99 2.83 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.612 0.72 . . . . 0.0 111.141 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 115' ' ' THR . 53.6 Cg_endo -69.75 165.67 30.17 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.671 2.247 . . . . 0.0 112.316 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.687 ' HB1' ' HD2' ' A' ' 118' ' ' PRO . . . -139.35 163.59 44.59 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 0.0 111.11 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.687 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 53.7 Cg_endo -69.75 -24.73 29.37 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.702 2.268 . . . . 0.0 112.297 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.56 153.61 35.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -178.74 74.41 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -89.04 172.65 8.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 111.064 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 86.6 m -80.16 110.41 15.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 30.8 m -152.26 143.58 15.93 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.585 0.707 . . . . 0.0 111.105 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 95.62 0.56 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.7 2.267 . . . . 0.0 112.352 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.1 t -71.77 -175.82 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -148.36 70.26 0.33 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.515 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 163.89 36.55 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.664 2.242 . . . . 0.0 112.351 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 55.7 m -153.38 150.47 28.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.0 t -51.34 128.24 21.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 -179.957 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 m -139.45 164.33 30.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.351 . . . . 0.0 110.902 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.0 p -60.88 -24.71 66.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.73 100.87 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -153.84 139.97 18.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.369 . . . . 0.0 110.844 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -107.12 137.29 45.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.06 129.54 1.12 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.506 HD11 ' HB1' ' A' ' 30' ' ' ALA . 12.5 tp -104.88 155.71 18.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.859 0.361 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.446 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 44.2 t -114.73 -57.44 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.2 ttt-85 -149.68 152.84 36.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.83 88.83 0.15 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.514 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -127.25 148.77 17.57 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 54.6 m95 -70.8 151.99 44.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.752 0.31 . . . . 0.0 110.952 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.651 HD11 ' NE1' ' A' ' 105' ' ' TRP . 70.8 mt -153.5 137.41 16.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.519 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 98.1 m95 -77.9 120.99 23.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.5 ttp85 -111.22 138.7 47.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -93.54 132.44 37.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.2 m -91.68 -175.85 4.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.0 t -101.29 -62.1 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.543 ' H ' HD12 ' A' ' 20' ' ' ILE . 5.0 mp -71.0 -45.25 73.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.091 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 22' ' ' ARG . 10.5 mt -75.17 -16.44 60.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER 34.32 39.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.418 ' HG2' ' N ' ' A' ' 24' ' ' TRP . 35.7 ttt180 -133.15 151.09 51.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.425 ' CE2' ' HD3' ' A' ' 73' ' ' PRO . 92.6 m95 -78.26 132.57 37.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -128.96 145.57 51.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.519 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 15.3 mtm105 -74.68 139.85 43.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -150.87 138.3 19.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 28.5 t90 -94.86 99.58 11.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.442 ' CD2' ' HB3' ' A' ' 39' ' ' TYR . 51.5 m-85 -90.19 134.16 34.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.506 ' HB1' HD11 ' A' ' 8' ' ' LEU . . . -135.86 130.13 33.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.13 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.7 tp -96.58 134.16 40.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -104.15 152.66 21.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mt -59.01 -32.75 69.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -56.7 -21.54 28.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.44 39.15 3.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.452 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.8 p -128.34 155.42 44.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.778 0.323 . . . . 0.0 111.169 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.482 HD22 HD11 ' A' ' 54' ' ' ILE . 10.3 tp -121.54 111.18 16.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.09 132.51 9.41 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 50' ' ' ASP . 20.5 p90 -117.29 130.17 56.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.888 0.375 . . . . 0.0 110.922 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.53 ' CD2' ' HA ' ' A' ' 45' ' ' ALA . 2.7 m-85 -115.76 177.08 4.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -70.17 -63.26 1.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 44' ' ' THR . 17.5 t70 -126.71 176.93 6.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.23 -28.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 42' ' ' ASP . 63.2 p -73.97 106.93 5.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.136 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.53 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . . . -85.62 47.15 1.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -103.44 -14.69 16.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -114.56 66.4 0.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -54.54 107.44 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -75.68 -43.14 48.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 4.5 t70 -169.33 172.11 7.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.84 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -154.52 118.43 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.429 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 27.4 m -109.45 166.02 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.435 HG12 ' HB2' ' A' ' 57' ' ' ASN . 94.3 t -90.67 136.7 23.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.482 HD11 HD22 ' A' ' 37' ' ' LEU . 15.0 mm -108.19 -38.96 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.147 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -57.97 119.37 6.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.443 ' CE1' ' HA ' ' A' ' 114' ' ' SER . 61.7 m-85 38.23 45.59 0.79 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.435 ' HB2' HG12 ' A' ' 53' ' ' VAL . 6.8 t30 -121.73 -32.12 3.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 87.7 t -72.26 123.04 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.132 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -85.52 -42.71 14.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -165.37 155.8 13.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 77.6 mt -137.69 134.52 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -120.59 161.6 21.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 80.7 t -145.01 134.57 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.91 -131.67 36.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 66' ' ' GLU . 13.6 pt20 -41.56 -54.0 3.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.747 0.308 . . . . 0.0 110.915 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.441 ' N ' ' HG3' ' A' ' 65' ' ' GLN . 4.4 mm-40 -38.92 -50.13 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.0 t -63.71 163.27 11.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -54.28 -175.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -80.52 45.34 0.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.9 t -65.82 139.64 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -85.08 113.25 49.04 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.657 0.742 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 149.75 67.13 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.425 ' HD3' ' CE2' ' A' ' 24' ' ' TRP . 53.7 Cg_endo -69.78 155.26 66.33 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.637 2.225 . . . . 0.0 112.33 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -53.32 146.81 11.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.31 -48.65 4.09 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.449 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.453 ' HD2' ' N ' ' A' ' 76' ' ' ARG . 0.7 OUTLIER -71.32 -175.54 1.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.816 0.341 . . . . 0.0 110.908 -179.871 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.3 m -133.94 157.84 44.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -49.27 -51.62 32.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -44.27 -34.07 1.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -58.84 -37.88 91.35 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.488 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 80' ' ' GLY . 4.2 mp -35.08 143.65 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.784 0.326 . . . . 0.0 110.97 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.0 tp -163.03 111.25 1.27 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.0 m -118.24 145.34 45.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 97.7 t -124.57 129.01 73.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -93.45 143.12 26.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.419 HD22 HD22 ' A' ' 57' ' ' ASN . 57.5 mt -112.36 151.39 29.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.426 ' CD ' ' HA ' ' A' ' 57' ' ' ASN . 15.5 ptm180 -73.1 -27.69 61.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.15 -32.63 74.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 120.57 61.03 0.24 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.458 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.4 m -170.56 151.25 3.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.368 . . . . 0.0 110.856 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -116.22 153.19 32.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.2 mt -111.97 105.66 14.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -79.26 112.15 16.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.2 mt -137.93 167.61 21.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 32.6 t -150.27 136.56 18.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -105.82 155.37 19.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.053 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -55.93 -47.13 78.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 71.2 p -129.48 177.93 6.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.133 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -73.97 -26.12 60.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -67.12 -57.43 6.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.81 -35.22 66.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.66 -54.66 42.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 40.6 mt -53.21 -45.32 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -44.32 -50.66 8.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.651 ' NE1' HD11 ' A' ' 14' ' ' LEU . 47.3 m95 -64.99 -40.64 95.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.4 tttm -58.99 -46.37 88.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 87.3 m -72.35 -44.36 62.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.15 -28.37 69.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 41.9 mt -86.61 -55.94 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 7.2 mmt -48.26 -42.05 29.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -63.91 -65.94 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.5 -35.34 8.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.98 -37.73 88.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.443 ' HA ' ' CE1' ' A' ' 56' ' ' PHE . 1.3 t -118.33 37.71 3.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 36.5 m -153.92 105.03 2.47 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.546 0.689 . . . . 0.0 111.164 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 171.5 14.34 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.717 2.278 . . . . 0.0 112.339 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -113.67 149.31 41.5 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.573 0.701 . . . . 0.0 111.119 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -44.11 2.29 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.376 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . 62.91 44.37 6.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -126.43 60.31 0.65 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.454 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -59.46 100.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.348 . . . . 0.0 111.163 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.472 ' O ' HG23 ' A' ' 122' ' ' THR . 14.6 t -83.79 40.25 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.661 HG13 ' HD2' ' A' ' 124' ' ' PRO . 94.7 t -136.77 138.86 27.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.646 0.736 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.661 ' HD2' HG13 ' A' ' 123' ' ' VAL . 53.6 Cg_endo -69.8 95.62 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.643 2.229 . . . . 0.0 112.33 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 28.2 t -59.74 -57.59 12.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 136.63 140.13 4.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 128' ' ' SER . 53.7 Cg_endo -69.82 -21.04 33.79 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 127' ' ' PRO . 17.5 m -35.75 143.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 130' ' ' GLY . 6.1 m -76.56 123.19 25.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.802 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 129' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.533 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 t -151.54 169.33 22.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.92 0.39 . . . . 0.0 110.833 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -151.63 133.39 14.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.9 131.07 5.44 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -113.63 -67.54 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.911 0.386 . . . . 0.0 110.874 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t 66.2 35.0 6.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.834 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.457 ' CA ' ' HG ' ' A' ' 33' ' ' LEU . . . -154.72 -49.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.48 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.5 tp -84.41 155.01 22.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.367 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.514 HG11 HD23 ' A' ' 31' ' ' LEU . 46.8 t -127.55 -53.76 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.104 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.483 ' NH1' ' HB1' ' A' ' 104' ' ' ALA . 22.7 ttm180 -162.05 158.75 25.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -135.43 -139.03 3.96 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.09 174.72 24.42 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.456 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 47.0 m95 -109.71 144.04 38.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.804 0.335 . . . . 0.0 110.896 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.8 HD11 ' NE1' ' A' ' 105' ' ' TRP . 70.1 mt -143.65 139.69 29.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.548 ' CH2' ' HD2' ' A' ' 26' ' ' ARG . 94.4 m95 -77.86 124.07 27.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.418 ' NH2' ' HD3' ' A' ' 25' ' ' LYS . 30.2 ttp85 -118.72 140.32 50.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -72.94 166.17 23.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 t -128.1 164.1 23.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.2 p -115.62 -4.22 12.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.946 ' O ' HD13 ' A' ' 20' ' ' ILE . 0.0 OUTLIER -119.96 -27.89 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.146 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.6 tp -103.91 -14.1 16.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 49.08 48.93 20.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -164.48 137.83 5.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.475 ' CD1' ' HB3' ' A' ' 73' ' ' PRO . 70.8 m95 -52.77 151.54 4.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.418 ' HD3' ' NH2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -138.99 145.5 39.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.548 ' HD2' ' CH2' ' A' ' 15' ' ' TRP . 24.5 mtp85 -79.14 121.31 24.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -132.1 166.86 20.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.429 ' CH2' ' HB2' ' A' ' 30' ' ' ALA . 79.1 t90 -119.77 105.11 10.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.478 ' CD2' ' HB3' ' A' ' 39' ' ' TYR . 47.4 m-85 -90.78 146.55 23.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.429 ' HB2' ' CH2' ' A' ' 28' ' ' TRP . . . -146.47 129.77 16.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.054 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.514 HD23 HG11 ' A' ' 9' ' ' VAL . 25.3 tp -98.25 133.5 42.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.978 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -107.04 153.93 21.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.457 ' HG ' ' CA ' ' A' ' 7' ' ' GLY . 3.1 mt -59.75 -33.25 71.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -56.28 -15.65 4.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.46 39.16 6.03 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.468 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.6 p -127.54 149.87 49.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.802 0.334 . . . . 0.0 111.159 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.614 ' HB2' HD11 ' A' ' 54' ' ' ILE . 9.4 tp -118.21 113.17 21.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.04 139.03 14.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.471 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.478 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 11.8 p90 -121.56 115.38 22.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.881 0.372 . . . . 0.0 110.98 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.559 ' CD2' ' HA ' ' A' ' 45' ' ' ALA . 12.9 m-85 -101.48 164.84 11.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.498 ' CE1' ' OD1' ' A' ' 42' ' ' ASP . 0.5 OUTLIER -61.71 -54.68 39.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.498 ' OD1' ' CE1' ' A' ' 41' ' ' HIS . 97.0 m-20 -129.66 -179.26 5.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -47.87 -31.11 4.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.1 p -75.05 109.98 8.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.559 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . . . -81.34 47.83 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -104.25 -22.12 13.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 48' ' ' GLU . 1.1 m-20 -105.88 42.46 1.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 47' ' ' ASP . 9.6 tt0 -35.44 123.29 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -90.51 -43.95 9.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.441 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 4.2 m-20 -169.53 179.09 3.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.834 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -155.24 117.86 4.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 25.3 m -109.13 161.48 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 63.8 t -89.49 138.45 19.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.614 HD11 ' HB2' ' A' ' 37' ' ' LEU . 30.8 mm -107.57 -39.66 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -55.94 119.18 5.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 39.36 47.16 1.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -128.13 -31.51 2.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.503 HG11 HD11 ' A' ' 61' ' ' ILE . 71.9 t -69.18 100.4 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.8 ttt-85 -64.4 -48.61 74.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -154.71 169.7 23.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.809 HD12 ' HG2' ' A' ' 110' ' ' MET . 61.4 mt -145.54 125.72 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.2 mttm -111.55 135.26 52.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.819 HG13 ' HB1' ' A' ' 102' ' ' ALA . 62.3 t -137.83 131.04 42.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.149 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.3 -133.17 42.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.49 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.427 ' NE2' ' HG2' ' A' ' 66' ' ' GLU . 2.1 pp0? -39.82 -48.39 2.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.767 0.317 . . . . 0.0 110.938 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.427 ' HG2' ' NE2' ' A' ' 65' ' ' GLN . 4.0 mm-40 -37.73 -52.15 1.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.406 ' HB3' HG12 ' A' ' 70' ' ' VAL . 81.4 m -74.67 124.03 25.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 69' ' ' ASP . 25.6 mt-30 -119.83 -67.54 0.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -35.18 -51.22 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.406 HG12 ' HB3' ' A' ' 67' ' ' CYS . 11.3 p -70.08 140.5 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -116.09 141.95 28.49 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.624 0.726 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 141.02 44.22 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.688 2.259 . . . . 0.0 112.352 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.475 ' HB3' ' CD1' ' A' ' 24' ' ' TRP . 53.7 Cg_endo -69.79 -168.61 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.634 2.223 . . . . 0.0 112.333 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -75.71 105.17 6.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 119.32 -53.61 0.67 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.533 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.464 ' HD2' ' N ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -51.05 -176.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.817 0.341 . . . . 0.0 110.915 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.5 m -142.22 158.62 43.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.829 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 39.9 mtm180 -64.17 -14.01 52.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.11 20.5 4.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -128.3 -32.37 0.63 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 80' ' ' GLY . 4.4 mp -34.38 149.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.813 0.34 . . . . 0.0 110.966 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.517 ' CD1' HG22 ' A' ' 63' ' ' VAL . 13.0 tp -161.44 112.23 1.7 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.9 m -119.63 135.78 54.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 94.7 t -114.37 130.57 68.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -97.66 146.34 25.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 26.1 mt -119.02 154.3 33.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -77.59 -36.2 52.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.36 -23.54 3.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 112.12 56.13 0.46 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.5 m -171.85 156.22 4.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 0.0 110.826 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -122.15 172.43 8.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.5 mt -132.54 106.56 7.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.476 ' O ' HD23 ' A' ' 94' ' ' LEU . 25.9 m-70 -81.05 109.73 15.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 93' ' ' HIS . 36.5 mt -130.13 170.24 14.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 40.3 t -149.56 138.33 21.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -107.65 160.3 15.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.084 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -71.3 -37.74 71.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 31.8 p -133.42 148.89 51.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -48.52 -40.09 25.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.56 -56.31 16.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -50.94 -44.06 60.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.819 ' HB1' HG13 ' A' ' 63' ' ' VAL . . . -62.96 -45.12 93.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.074 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 79.6 mt -61.31 -38.3 79.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.483 ' HB1' ' NH1' ' A' ' 10' ' ' ARG . . . -56.59 -40.99 76.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.104 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.8 ' NE1' HD11 ' A' ' 14' ' ' LEU . 49.1 m95 -68.73 -39.06 80.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.496 ' HD2' ' CG2' ' A' ' 61' ' ' ILE . 16.8 tptm -55.05 -40.3 70.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 94.2 m -83.27 -46.35 12.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.092 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.61 -26.76 67.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 42.9 mt -91.27 -50.77 5.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.809 ' HG2' HD12 ' A' ' 61' ' ' ILE . 5.5 mmt -57.23 -33.15 67.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -70.8 -66.52 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -48.18 -38.21 17.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -62.1 -30.82 71.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.3 m -123.71 43.24 3.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 81.5 m -161.05 105.06 1.25 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.573 0.701 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 166.68 26.74 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.716 2.277 . . . . 0.0 112.343 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -116.93 83.48 14.66 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.643 0.735 . . . . 0.0 111.12 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -39.78 6.12 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.688 2.259 . . . . 0.0 112.365 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -165.85 155.72 12.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -91.33 119.2 5.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.528 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -103.04 106.76 17.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.862 0.363 . . . . 0.0 111.131 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.2 p -97.67 158.82 15.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.412 ' HA ' ' HD2' ' A' ' 124' ' ' PRO . 86.2 t -134.86 99.63 12.47 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.593 0.711 . . . . 0.0 111.147 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 123' ' ' VAL . 54.2 Cg_endo -69.76 -47.56 0.9 Allowed 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.698 2.265 . . . . 0.0 112.37 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 31.4 t -73.96 127.44 32.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -147.57 -159.2 8.25 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 138.59 38.08 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.68 2.253 . . . . 0.0 112.304 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 10.2 t -65.16 147.34 53.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 27.5 m -108.91 -44.68 3.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.505 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 m -100.89 144.26 30.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.916 0.389 . . . . 0.0 110.855 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 t -89.85 141.14 28.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.98 -80.22 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.518 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.8 p 39.29 36.57 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 110.846 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.9 m -105.04 -50.81 3.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.49 -46.97 1.04 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.0 tp -104.33 143.51 32.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.904 0.383 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.448 HG23 HD23 ' A' ' 33' ' ' LEU . 60.8 t -103.2 -57.53 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 47.5 ttt85 -140.8 155.13 46.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -149.45 82.47 0.18 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.454 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -123.52 159.99 18.1 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.421 ' CZ3' ' HB3' ' A' ' 26' ' ' ARG . 52.8 m95 -85.91 133.44 33.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.787 0.327 . . . . 0.0 110.939 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.405 HD11 ' CD1' ' A' ' 105' ' ' TRP . 21.5 mt -136.88 145.08 43.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.564 ' CZ3' ' HG3' ' A' ' 26' ' ' ARG . 99.0 m95 -82.09 124.02 29.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.5 ttp85 -110.9 153.17 25.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -109.46 140.48 43.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.8 t -92.39 -175.25 3.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.6 p -125.24 -10.89 7.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.603 ' N ' HD12 ' A' ' 20' ' ' ILE . 2.2 mp -102.67 -38.43 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.11 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.6 mt -101.92 -20.38 14.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 58.99 27.87 16.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 mtp-105 -117.67 150.39 39.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -76.39 161.43 28.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.404 ' C ' ' HD3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -157.72 159.69 37.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.564 ' HG3' ' CZ3' ' A' ' 15' ' ' TRP . 31.4 mtp180 -90.76 140.14 30.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.469 ' ND2' ' OE2' ' A' ' 49' ' ' GLU . 3.7 t-20 -154.36 148.96 26.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.471 ' CE3' ' HA ' ' A' ' 43' ' ' GLU . 28.3 t90 -97.84 106.04 18.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.941 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.578 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 38.3 m-85 -94.27 127.23 40.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.77 144.5 51.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.091 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.444 HD23 ' CB ' ' A' ' 9' ' ' VAL . 26.1 tp -109.49 136.62 48.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -107.46 146.15 32.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.448 HD23 HG23 ' A' ' 9' ' ' VAL . 3.2 mt -60.12 -29.66 68.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.61 -16.01 3.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.42 40.88 4.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.473 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.3 p -135.21 153.5 51.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 111.134 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.468 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . 12.2 tp -123.78 111.05 15.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.05 139.53 12.4 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.412 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 16.9 p90 -117.76 138.33 52.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.935 0.398 . . . . 0.0 110.899 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.436 ' O ' ' C ' ' A' ' 41' ' ' HIS . 7.0 m-85 -131.0 148.27 52.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 40' ' ' TYR . 23.5 m80 -34.45 -66.03 0.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -123.1 179.71 4.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.471 ' HA ' ' CE3' ' A' ' 28' ' ' TRP . 15.1 pt-20 -45.47 -28.58 0.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.2 p -78.67 115.14 18.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.53 54.41 2.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.107 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -93.71 -36.45 12.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -106.7 76.59 1.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -59.93 111.84 1.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.469 ' OE2' ' ND2' ' A' ' 27' ' ' ASN . 35.2 mt-10 -80.73 -46.45 15.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -169.61 173.52 6.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 51' ' ' ARG . 17.2 ttp-105 -153.75 117.57 4.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.529 ' HB ' HD13 ' A' ' 86' ' ' LEU . 34.1 m -107.5 170.39 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 44.4 t -95.5 141.02 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.461 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 5.5 mm -110.32 -39.65 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 56' ' ' PHE . 2.0 t-80 -55.76 119.97 6.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.432 ' O ' ' NE ' ' A' ' 87' ' ' ARG . 15.4 m-85 35.88 45.32 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -125.61 -12.64 6.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.7 t -85.65 96.83 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -64.85 -44.63 89.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -163.46 166.24 22.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.406 HD12 ' HG2' ' A' ' 110' ' ' MET . 51.8 mt -144.56 120.6 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -106.79 143.21 35.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 46.1 t -141.48 133.27 28.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.71 -138.6 37.97 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.521 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -38.71 -39.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.776 0.322 . . . . 0.0 110.95 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -40.4 -53.93 2.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 m -72.86 -66.57 0.65 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 37.9 tp60 42.8 33.61 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -124.36 -30.28 3.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.4 t -92.89 148.16 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.138 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -88.71 118.82 69.74 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.571 0.7 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 135.96 31.7 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -178.31 2.26 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.42 ' C ' ' CD ' ' A' ' 74' ' ' GLU . 6.2 tm-20 -74.75 131.14 40.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 76' ' ' ARG . . . 98.38 -61.37 0.89 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.522 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.465 ' HD2' ' N ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -51.36 -175.13 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 -179.873 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.9 m -133.02 157.0 46.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.5 mtt85 -59.48 -51.33 70.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -55.3 -13.98 1.61 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -78.29 -25.84 60.7 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.483 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.7 mp -49.23 125.87 11.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.922 0.391 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.0 tp -133.92 116.97 16.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 87.0 m -121.47 139.62 53.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 38.4 t -117.39 150.38 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.149 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -115.98 120.75 40.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.529 HD13 ' HB ' ' A' ' 52' ' ' VAL . 61.0 mt -103.57 139.71 38.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.951 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.432 ' NE ' ' O ' ' A' ' 56' ' ' PHE . 54.0 mtm180 -59.16 -48.93 79.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 87' ' ' ARG . 19.1 pt-20 -36.7 -34.16 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 87' ' ' ARG . . . 114.37 51.72 0.46 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.442 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.2 t -166.08 116.69 1.01 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.9 0.381 . . . . 0.0 110.831 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -86.52 158.35 19.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.6 mt -113.21 122.13 46.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -97.32 112.11 24.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.578 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 18.1 mt -134.69 165.82 24.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.4 t -140.18 119.4 12.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -89.68 164.03 14.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.034 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -70.77 -37.12 73.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 21.2 p -148.19 165.77 29.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -59.08 -34.87 72.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -57.21 -53.71 55.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -61.76 -42.82 99.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.6 -55.12 37.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 22.0 mt -53.29 -43.75 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -49.09 -41.83 36.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.048 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.405 ' CD1' HD11 ' A' ' 14' ' ' LEU . 43.6 m95 -69.3 -43.49 73.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.938 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -57.0 -39.46 74.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 91.6 m -73.21 -46.95 47.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.87 -29.0 70.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 46.0 mt -86.12 -55.07 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.406 ' HG2' HD12 ' A' ' 61' ' ' ILE . 10.9 mmt -51.53 -20.97 2.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -83.44 -64.99 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.59 -29.11 2.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.059 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.39 -39.79 77.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.1 m -115.14 41.11 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 26.1 m -156.62 105.0 1.98 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.587 0.708 . . . . 0.0 111.161 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -177.11 1.73 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.247 . . . . 0.0 112.324 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -110.97 83.29 3.57 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.591 0.71 . . . . 0.0 111.093 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -25.53 28.61 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.379 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -75.0 120.4 20.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -136.74 -71.76 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.448 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -84.4 139.55 32.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 0.0 111.129 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.66 141.03 35.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.173 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 29.8 m -55.55 141.96 62.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.612 0.72 . . . . 0.0 111.137 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 167.16 25.26 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.623 2.216 . . . . 0.0 112.358 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.3 t -92.59 -68.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 167.36 161.29 16.38 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 129' ' ' SER . 53.8 Cg_endo -69.73 -38.74 7.46 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.707 2.271 . . . . 0.0 112.325 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.3 t -40.1 95.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.823 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 127' ' ' PRO . 37.3 p -172.75 168.74 5.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.874 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.472 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -67.11 107.65 2.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.851 0.358 . . . . 0.0 110.87 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -124.19 147.81 47.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.9 158.36 8.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -56.33 144.96 28.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.873 0.368 . . . . 0.0 110.891 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.5 t -73.56 113.98 11.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.434 ' CA ' ' HG ' ' A' ' 33' ' ' LEU . . . 146.93 -50.85 0.58 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.594 HD23 ' N ' ' A' ' 9' ' ' VAL . 2.3 tt -105.49 142.75 34.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 110.939 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.594 ' N ' HD23 ' A' ' 8' ' ' LEU . 72.7 t -96.44 -53.54 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -170.38 155.39 5.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -141.8 -175.3 15.14 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.453 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 149.18 148.31 4.72 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -69.43 130.97 43.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.829 0.347 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.524 HD11 ' NE1' ' A' ' 105' ' ' TRP . 88.9 mt -134.59 142.34 46.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.422 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 95.5 m95 -79.71 115.14 19.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.6 ttt-85 -108.17 131.78 54.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.54 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 33.3 tt0 -88.23 143.68 26.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -64.76 177.92 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.7 p -96.13 -41.62 8.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.0 pt -117.01 -24.99 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.191 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.463 ' O ' ' CD ' ' A' ' 23' ' ' ARG . 4.3 mm? -80.42 -21.59 42.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 55.47 27.58 10.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.463 ' CD ' ' O ' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -111.7 141.02 45.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.893 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.54 ' CZ3' ' HB2' ' A' ' 17' ' ' GLN . 95.5 m95 -79.33 153.91 29.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -148.57 141.96 25.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.422 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 44.6 mtm180 -75.58 120.61 21.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -145.82 129.01 16.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.453 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 14.9 t-105 -79.62 129.99 34.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.582 ' CD2' ' HB3' ' A' ' 39' ' ' TYR . 26.0 m-85 -110.59 145.57 37.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.29 127.05 14.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.642 HD12 ' O ' ' A' ' 36' ' ' THR . 66.7 tp -91.63 139.15 30.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -111.07 139.62 46.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.539 ' N ' HD23 ' A' ' 33' ' ' LEU . 2.4 mt -56.28 -23.74 38.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.925 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -58.19 -19.25 31.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.814 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.3 33.57 5.64 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.502 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.642 ' O ' HD12 ' A' ' 31' ' ' LEU . 4.2 p -129.77 170.98 13.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 111.163 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.639 ' HB2' HD11 ' A' ' 54' ' ' ILE . 12.3 tp -134.29 112.36 10.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.28 135.33 11.24 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.528 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.582 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 35.9 p90 -119.24 127.61 53.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.881 0.372 . . . . 0.0 110.927 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.558 ' CD2' ' HA ' ' A' ' 45' ' ' ALA . 1.9 m-85 -109.89 154.9 22.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.943 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -66.35 -53.53 35.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.402 ' CG ' ' OD2' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -77.88 175.2 10.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -65.86 -34.45 78.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.6 p -94.19 174.6 7.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.558 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . . . -94.23 81.15 4.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.105 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -125.13 -49.71 1.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.402 ' OD2' ' CG ' ' A' ' 42' ' ' ASP . 3.9 p30 -91.75 75.56 5.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -56.16 116.06 2.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -94.31 -48.62 6.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 2.5 t70 -171.33 172.11 5.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.415 ' HB2' ' NH1' ' A' ' 51' ' ' ARG . 17.0 ttm105 -152.39 122.09 6.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 31.9 m -110.07 144.44 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.0 t -66.54 145.14 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.639 HD11 ' HB2' ' A' ' 37' ' ' LEU . 28.7 mm -115.94 -39.22 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 56' ' ' PHE . 39.4 t-80 -53.72 121.46 7.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 55' ' ' HIS . 4.8 m-85 35.4 43.06 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -121.76 -22.51 5.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.709 HG11 HD11 ' A' ' 61' ' ' ILE . 92.2 t -82.96 99.79 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.139 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.1 tpt85 -66.24 -50.18 64.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -149.58 171.76 16.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.83 HD12 ' HG2' ' A' ' 110' ' ' MET . 97.6 mt -149.34 116.19 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -103.95 144.3 31.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.487 HG22 ' CD1' ' A' ' 82' ' ' LEU . 44.5 t -141.48 129.94 22.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.155 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.21 -132.03 35.97 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.44 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 66' ' ' GLU . 35.9 mm-40 -40.69 -45.7 2.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.752 0.311 . . . . 0.0 110.903 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 65' ' ' GLN . 16.1 mt-10 -38.37 -46.89 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 85.4 m -61.17 175.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.407 ' O ' HG23 ' A' ' 70' ' ' VAL . 2.8 tp-100 -173.42 152.46 2.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 57.53 40.53 26.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.411 HG21 ' NE2' ' A' ' 93' ' ' HIS . 89.4 t -146.46 127.21 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -93.59 123.01 61.35 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.633 0.73 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.656 ' HB3' HD11 ' A' ' 81' ' ' LEU . 53.5 Cg_endo -69.81 157.3 60.74 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.65 2.233 . . . . 0.0 112.343 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.472 ' HG2' ' CG ' ' A' ' 76' ' ' ARG . 53.7 Cg_endo -69.74 145.92 58.71 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.706 2.271 . . . . 0.0 112.333 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -55.07 135.72 48.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.86 -60.11 1.72 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.472 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 5.8 mmp_? -52.35 -172.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.807 0.337 . . . . 0.0 110.891 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.9 m -119.92 159.57 24.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.507 ' O ' HD13 ' A' ' 81' ' ' LEU . 15.3 mtm180 -61.04 -51.05 70.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -45.33 -47.38 13.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -39.2 -36.47 0.57 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.445 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.741 HD12 ' SG ' ' A' ' 95' ' ' CYS . 6.8 mp -38.19 138.42 0.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.838 0.352 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.487 ' CD1' HG22 ' A' ' 63' ' ' VAL . 6.8 tp -154.05 111.84 3.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.436 ' CG2' ' HB2' ' A' ' 91' ' ' ARG . 4.9 m -110.81 114.13 27.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 64.6 t -99.52 128.45 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -93.25 140.21 29.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 69.7 mt -116.5 150.07 38.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -58.82 -46.49 87.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.449 ' C ' ' OE1' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -45.9 -36.68 5.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 115.4 69.42 0.46 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.444 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 27.0 t -171.11 145.93 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.879 0.371 . . . . 0.0 110.866 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.436 ' HB2' ' CG2' ' A' ' 83' ' ' THR . 17.3 ptp180 -107.72 136.52 47.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.1 mt -95.51 107.78 19.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.411 ' NE2' HG21 ' A' ' 70' ' ' VAL . 11.9 m80 -79.18 104.55 9.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.6 mt -132.36 160.17 37.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.741 ' SG ' HD12 ' A' ' 81' ' ' LEU . 36.2 m -141.92 126.96 18.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.437 ' HB3' ' HB2' ' A' ' 102' ' ' ALA . . . -94.7 159.92 14.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -52.49 -59.49 4.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 58.9 p -128.8 174.06 9.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -59.62 -44.12 93.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -52.17 -48.61 64.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -63.22 -46.96 84.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.437 ' HB2' ' HB3' ' A' ' 96' ' ' ALA . . . -58.3 -44.68 88.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 56.3 mt -60.72 -39.18 80.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.73 -41.53 70.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.524 ' NE1' HD11 ' A' ' 14' ' ' LEU . 60.3 m95 -66.88 -42.03 86.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.495 ' HD2' ' CG2' ' A' ' 61' ' ' ILE . 17.7 tptm -50.36 -45.0 54.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.853 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 88.0 m -79.39 -44.09 22.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.178 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.79 -26.36 67.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 40.4 mt -91.29 -51.01 5.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.83 ' HG2' HD12 ' A' ' 61' ' ' ILE . 3.4 mmt -53.46 -38.72 63.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -68.33 -59.96 2.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.5 -34.9 26.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.41 ' O ' ' CD1' ' A' ' 56' ' ' PHE . 1.6 t30 -70.02 -33.84 72.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 80.0 p -124.07 41.14 3.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 87.1 m -157.52 105.01 1.82 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.618 0.723 . . . . 0.0 111.14 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -176.79 1.61 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.716 2.278 . . . . 0.0 112.332 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.28 145.94 28.45 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.607 0.718 . . . . 0.0 111.101 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -10.43 28.51 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.329 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -97.79 165.69 11.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 164.74 84.15 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.43 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -81.73 173.51 12.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.873 0.368 . . . . 0.0 111.058 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 59.1 p -101.33 93.16 5.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 34.2 m -84.86 144.61 42.24 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.658 0.742 . . . . 0.0 111.105 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -171.21 0.45 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.74 2.293 . . . . 0.0 112.38 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 20.7 t -83.46 135.93 34.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.84 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -93.34 146.61 18.2 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.518 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 86.0 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.709 2.273 . . . . 0.0 112.347 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 17.7 m -157.3 125.41 5.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.843 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 66.5 m -42.29 154.64 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.8 p -156.09 125.52 6.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.367 . . . . 0.0 110.895 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -129.59 167.45 17.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 39.63 91.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.463 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.9 t -99.52 -48.19 4.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 110.844 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -89.52 156.81 18.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.33 -55.74 0.55 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.44 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.637 HD23 ' N ' ' A' ' 9' ' ' VAL . 3.2 tt -104.62 135.18 46.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.93 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.702 ' HB ' HD23 ' A' ' 31' ' ' LEU . 90.5 t -94.7 -60.25 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 11' ' ' GLY . 4.5 tpm_? -141.82 150.85 42.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.417 ' N ' ' HG3' ' A' ' 10' ' ' ARG . . . -154.3 134.97 4.51 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.453 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . -176.99 163.02 31.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.458 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -75.81 143.25 41.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.855 0.359 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.766 HD11 ' NE1' ' A' ' 105' ' ' TRP . 81.3 mt -153.81 137.03 15.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.524 ' CH2' ' HD2' ' A' ' 26' ' ' ARG . 98.7 m95 -74.74 130.94 40.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.1 ttp85 -114.62 139.52 49.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -100.09 136.46 39.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.1 t -102.1 166.4 10.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.4 p -99.26 -17.42 18.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.909 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 92.2 mt -108.47 -35.3 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.161 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.2 tp -87.43 -19.83 27.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 42.85 41.92 2.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -146.49 144.52 29.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.523 ' CD1' ' HB3' ' A' ' 73' ' ' PRO . 98.3 m95 -72.74 138.18 46.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.26 135.71 47.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.524 ' HD2' ' CH2' ' A' ' 15' ' ' TRP . 20.1 mtt180 -72.18 131.23 42.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -148.93 145.96 27.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.453 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 14.8 t-105 -98.77 108.18 20.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.55 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 8.3 m-85 -93.39 145.62 24.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.86 133.34 24.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.702 HD23 ' HB ' ' A' ' 9' ' ' VAL . 20.2 tp -99.71 133.88 43.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 69.2 m95 -106.42 150.11 26.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 mt -56.64 -33.66 66.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 36' ' ' THR . 20.1 p30 -53.54 -20.46 5.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.439 ' N ' ' OD1' ' A' ' 34' ' ' ASP . . . 97.21 32.0 6.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.434 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.455 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 72.7 p -121.54 160.72 23.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 111.115 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.59 HD22 HD11 ' A' ' 54' ' ' ILE . 11.6 tp -124.96 107.3 10.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.91 134.32 10.45 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.426 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.443 ' CZ ' ' HB2' ' A' ' 50' ' ' ASP . 18.9 p90 -119.18 131.89 55.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.906 0.384 . . . . 0.0 110.908 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 4.0 m-85 -115.61 162.83 16.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.923 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -43.86 -47.49 8.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.2 OUTLIER -144.78 167.46 22.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.824 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 42' ' ' ASP . 35.1 tt0 -35.3 -42.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 82.7 p -68.21 88.79 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.134 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.58 88.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -127.73 -50.0 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -90.47 79.01 6.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -53.01 106.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -85.15 -50.73 7.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.443 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 9.3 m-20 -170.68 170.57 6.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.3 ttm105 -154.82 123.59 6.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.485 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 27.2 m -109.2 172.02 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.3 t -96.91 136.63 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.59 HD11 HD22 ' A' ' 37' ' ' LEU . 21.6 mm -108.34 -41.82 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.445 ' CE1' ' HD2' ' A' ' 56' ' ' PHE . 11.5 t-80 -49.91 118.83 3.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.445 ' HD2' ' CE1' ' A' ' 55' ' ' HIS . 15.4 m-85 37.67 42.2 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.461 ' ND2' ' HB2' ' A' ' 87' ' ' ARG . 2.6 t-20 -122.66 -15.22 7.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.464 HG11 ' HE2' ' A' ' 110' ' ' MET . 71.6 t -82.44 94.29 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.151 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -64.63 -46.51 82.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -158.98 161.88 36.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.5 mt -141.33 121.83 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.142 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -105.33 130.42 53.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 88.2 t -132.72 136.27 56.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.077 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.03 -131.07 48.28 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.486 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 66' ' ' GLU . 11.9 tt0 -40.58 -48.03 2.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.778 0.323 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 65' ' ' GLN . 15.9 mt-10 -34.46 -39.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.535 ' CB ' HD23 ' A' ' 81' ' ' LEU . 19.8 p -37.09 149.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -131.84 -64.21 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -116.54 46.49 1.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.453 ' CG1' ' HB2' ' A' ' 67' ' ' CYS . 6.0 p -140.55 130.87 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -116.95 138.95 25.18 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.602 0.715 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 151.68 69.19 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.72 2.28 . . . . 0.0 112.335 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.523 ' HB3' ' CD1' ' A' ' 24' ' ' TRP . 54.6 Cg_endo -69.72 -168.73 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.624 2.216 . . . . 0.0 112.378 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -79.64 109.4 14.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 117.59 -48.66 0.92 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -65.16 169.08 5.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.338 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 t -114.0 152.71 30.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 58.1 mtm180 -60.89 -9.53 4.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -84.58 -14.96 47.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -87.36 -17.07 59.47 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.535 HD23 ' CB ' ' A' ' 67' ' ' CYS . 1.2 mp -46.21 143.01 2.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.363 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.9 tp -156.44 118.1 3.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 12.0 m -120.06 135.52 54.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 95.7 t -118.57 129.68 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.174 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -96.93 137.22 36.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.402 ' CB ' ' HG2' ' A' ' 88' ' ' GLU . 52.3 mt -113.78 136.87 52.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.461 ' HB2' ' ND2' ' A' ' 57' ' ' ASN . 25.2 mmm180 -48.4 -37.97 18.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.402 ' HG2' ' CB ' ' A' ' 86' ' ' LEU . 9.5 pt-20 -45.87 -38.27 7.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 120.55 33.51 1.01 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.529 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.8 p -143.0 154.49 44.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -112.75 156.44 22.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.3 mt -114.81 106.87 14.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 61.6 m80 -78.42 103.36 8.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.55 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 44.5 mt -126.83 163.67 23.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 30.9 t -149.21 130.63 14.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.3 177.97 5.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -79.54 -44.96 20.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 41.3 p -133.42 168.53 18.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.181 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.4 ptt180 -64.4 -10.76 26.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -85.01 -55.21 4.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.16 -36.72 66.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.29 -62.45 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 58.2 mt -45.76 -44.37 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -46.87 -54.46 9.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.766 ' NE1' HD11 ' A' ' 14' ' ' LEU . 31.2 m95 -59.74 -44.47 93.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -53.49 -41.83 66.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 94.2 m -73.18 -43.51 61.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.59 -25.7 68.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 40.1 mt -88.69 -50.17 6.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.464 ' HE2' HG11 ' A' ' 58' ' ' VAL . 18.4 mmt -57.06 -36.25 70.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -67.98 -65.82 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.948 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -51.4 -41.69 60.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.096 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -54.47 -43.13 71.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.8 t -113.57 40.61 2.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 92.6 m -157.23 105.01 1.87 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.558 0.694 . . . . 0.0 111.16 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 163.57 37.78 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.649 2.233 . . . . 0.0 112.338 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -123.6 131.21 24.28 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.572 0.701 . . . . 0.0 111.148 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -17.74 37.59 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.39 92.76 3.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.09 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -160.83 128.53 1.96 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -130.53 167.77 18.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.904 0.383 . . . . 0.0 111.096 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 90.3 m -81.57 134.73 35.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 84.6 t -148.9 120.65 4.3 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.661 0.743 . . . . 0.0 111.068 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 89.35 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.661 2.241 . . . . 0.0 112.388 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 55.5 m -148.42 125.01 11.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.905 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.63 121.85 27.21 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.527 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 157.92 58.85 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.731 2.288 . . . . 0.0 112.346 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 54.0 p -67.35 163.17 21.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.8 t -128.92 116.11 18.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 t -60.47 128.0 34.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.895 0.378 . . . . 0.0 110.815 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.4 p -39.18 -44.62 1.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.03 -157.82 30.46 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.536 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 m -38.41 134.2 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.861 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 t -112.19 139.35 47.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.14 -36.95 1.01 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.45 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.1 tp -98.12 136.41 38.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.359 . . . . 0.0 110.911 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.589 HG22 ' CD2' ' A' ' 33' ' ' LEU . 41.4 t -95.74 -60.88 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.2 ttt85 -152.46 162.29 41.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -155.45 140.91 7.66 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.517 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.44 129.79 1.46 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.467 ' CH2' ' HA ' ' A' ' 42' ' ' ASP . 48.9 m95 -50.72 136.08 22.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.841 0.353 . . . . 0.0 110.907 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.2 mt -148.95 145.51 27.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.941 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.574 ' CH2' ' HD2' ' A' ' 26' ' ' ARG . 64.4 m95 -73.65 133.21 43.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.5 ttt-85 -120.46 133.79 55.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.523 ' HB2' ' CD2' ' A' ' 24' ' ' TRP . 12.4 tt0 -109.15 156.85 19.35 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.1 t -106.0 -174.96 2.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 88.1 p -102.01 -42.47 6.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.562 HG23 ' N ' ' A' ' 21' ' ' LEU . 19.5 tt -90.07 -48.15 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.131 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.562 ' N ' HG23 ' A' ' 20' ' ' ILE . 58.0 tp -70.03 -18.09 63.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 21' ' ' LEU . 43.6 mtm180 37.14 49.0 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.05 138.55 35.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.595 ' CZ3' ' HB2' ' A' ' 95' ' ' CYS . 78.5 m95 -82.48 149.41 27.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -149.6 138.12 20.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.574 ' HD2' ' CH2' ' A' ' 15' ' ' TRP . 31.3 mtp180 -68.73 128.31 36.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -150.35 148.88 29.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 -85.66 131.1 34.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.55 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 44.4 m-85 -122.78 135.0 54.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.87 139.39 32.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.069 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.7 tp -100.81 152.04 20.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 84.6 m95 -120.05 156.91 30.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.589 ' CD2' HG22 ' A' ' 9' ' ' VAL . 3.1 mt -76.33 -17.5 59.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -83.01 19.74 1.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.35 59.29 10.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.486 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.9 p -150.52 138.52 20.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.825 0.345 . . . . 0.0 111.12 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.643 ' HB2' HD11 ' A' ' 54' ' ' ILE . 19.0 tp -117.9 110.8 18.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.36 141.23 13.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.491 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 50' ' ' ASP . 15.1 p90 -120.75 155.39 34.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.886 0.374 . . . . 0.0 110.96 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 2.3 m-85 -134.73 163.69 29.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.605 ' CE1' ' OD1' ' A' ' 42' ' ' ASP . 9.4 p-80 -53.14 -50.04 65.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.844 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.605 ' OD1' ' CE1' ' A' ' 41' ' ' HIS . 19.7 p30 -124.81 179.35 5.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -57.89 -38.72 76.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 46' ' ' GLN . 43.8 p -72.49 88.52 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.186 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.439 ' HB1' ' CE2' ' A' ' 40' ' ' TYR . . . -46.31 91.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.072 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' THR . 36.5 mm-40 -129.73 -46.39 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.963 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -94.33 80.51 3.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -50.77 92.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -67.73 -48.11 67.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 5.8 t0 -171.22 174.96 4.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -155.91 125.75 6.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.547 HG21 HD11 ' A' ' 92' ' ' LEU . 32.7 m -118.09 171.3 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.12 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.5 t -98.1 135.91 30.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.076 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.643 HD11 ' HB2' ' A' ' 37' ' ' LEU . 36.5 mm -103.77 -40.3 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -60.7 122.47 14.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 42.7 47.51 4.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -130.66 -35.01 1.5 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.8 t -63.31 106.45 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.2 tpt85 -75.97 -44.08 41.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.99 143.41 5.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.444 HD12 ' HG2' ' A' ' 110' ' ' MET . 69.0 mt -120.44 122.2 67.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.086 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -103.93 124.82 49.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.1 t -132.3 129.0 59.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . 59.37 -127.45 44.89 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.476 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 64' ' ' GLY . 58.9 tt0 -35.14 -51.87 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.757 0.313 . . . . 0.0 110.913 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 67' ' ' CYS . 3.6 mm-40 -37.75 -50.55 1.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 66' ' ' GLU . 1.0 OUTLIER -35.07 124.55 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -121.72 -43.55 2.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -124.22 41.45 3.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.411 ' O ' ' SG ' ' A' ' 67' ' ' CYS . 93.9 t -131.33 126.44 58.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.422 ' NE2' ' HE1' ' A' ' 24' ' ' TRP . 4.9 pp0? -111.9 131.06 22.62 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.562 0.696 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.604 ' HB3' HD11 ' A' ' 81' ' ' LEU . 54.1 Cg_endo -69.74 143.85 52.28 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.633 2.222 . . . . 0.0 112.329 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -164.76 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.646 2.231 . . . . 0.0 112.353 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -70.15 127.58 33.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.9 -59.33 3.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.532 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.463 ' NE ' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -46.16 172.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.842 -179.863 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.2 p -131.6 162.67 29.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.9 mtm180 -66.5 -4.21 7.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.51 -21.36 21.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 96' ' ' ALA . . . -99.41 24.59 31.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.604 HD11 ' HB3' ' A' ' 72' ' ' PRO . 5.3 mp -91.93 119.73 31.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.86 0.362 . . . . 0.0 110.938 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.7 tp -129.53 110.87 12.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.0 m -117.63 135.08 54.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.8 t -118.91 132.71 68.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.086 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -97.41 137.9 35.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.0 mt -110.59 143.38 41.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -74.03 -41.72 61.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -41.1 -42.81 2.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 136.89 51.26 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.476 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.7 m -170.96 170.98 6.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 110.927 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -129.75 171.36 12.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.547 HD11 HG21 ' A' ' 52' ' ' VAL . 4.1 mt -131.99 104.51 6.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -86.67 118.51 26.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.55 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 67.5 mt -136.82 159.41 41.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.595 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 37.2 t -147.09 114.36 6.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 80' ' ' GLY . . . -84.39 178.95 7.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -78.09 -42.57 31.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 78.6 p -134.09 164.37 27.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.427 ' HB2' ' NH1' ' A' ' 99' ' ' ARG . 3.9 ptm85 -58.14 -44.76 88.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -48.0 -62.79 1.29 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.97 -45.77 51.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.24 -52.97 61.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.063 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 63.7 mt -55.12 -43.46 70.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.02 -52.12 36.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.063 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -54.44 -46.3 73.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.8 tttm -50.8 -40.47 55.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 33.9 m -70.52 -49.89 43.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.65 -28.85 70.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.076 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 13.1 mt -82.58 -52.46 6.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.444 ' HG2' HD12 ' A' ' 61' ' ' ILE . 12.1 mmt -55.5 -44.12 76.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -64.1 -62.42 1.64 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.81 -32.22 5.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.099 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.06 -37.12 83.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 57.8 m -127.13 62.13 1.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 99.5 m -162.98 105.22 1.02 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.592 0.711 . . . . 0.0 111.183 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -174.64 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.651 2.234 . . . . 0.0 112.322 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -105.69 137.86 19.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.582 0.706 . . . . 0.0 111.117 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -1.93 9.31 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.725 2.283 . . . . 0.0 112.376 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -43.24 119.02 1.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.068 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -125.81 89.81 0.37 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -164.29 151.81 12.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 32.8 p -45.76 104.43 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.186 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 3.0 m -103.29 135.99 19.3 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.63 0.729 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 1.11 4.73 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.668 2.246 . . . . 0.0 112.342 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.9 m 47.9 38.33 8.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 176.19 145.89 5.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.535 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 114.88 3.84 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.707 2.271 . . . . 0.0 112.37 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.2 t -46.13 152.81 0.37 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 14.0 t -88.63 102.56 15.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 m -64.06 144.44 57.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.825 0.345 . . . . 0.0 110.9 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.4 t -121.92 145.86 47.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.8 115.71 3.22 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 m -136.2 172.4 13.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 110.885 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -56.6 155.43 7.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.49 -47.9 3.93 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.532 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.939 HD11 ' HB1' ' A' ' 30' ' ' ALA . 5.9 tp -98.67 133.81 42.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.862 0.363 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.42 HG21 HD23 ' A' ' 31' ' ' LEU . 60.1 t -84.03 -62.56 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.4 ttt85 -148.27 161.09 42.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -142.06 -179.77 19.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.454 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.37 -162.06 28.19 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -123.69 132.39 53.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.8 0.333 . . . . 0.0 110.973 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.0 mt -132.67 139.77 47.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.522 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 95.8 m95 -81.29 119.7 23.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.984 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.457 ' O ' ' CD ' ' A' ' 25' ' ' LYS . 29.9 ttp85 -109.72 129.44 55.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -82.27 131.25 35.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.7 t -65.09 174.43 1.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.4 t -100.77 -35.19 9.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.3 mt -114.55 -36.96 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.721 HD13 ' O ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -74.76 -13.36 60.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 179.908 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.9 mtm-85 41.48 54.81 3.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.535 ' HB3' HD12 ' A' ' 21' ' ' LEU . 39.5 ttt180 -144.64 141.26 29.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -79.83 129.4 34.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.457 ' CD ' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -128.55 147.1 50.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.522 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 55.6 mtm180 -68.5 139.11 55.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -150.31 128.11 11.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 23.6 t-105 -86.01 99.21 11.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.7 ' CE2' ' CD2' ' A' ' 39' ' ' TYR . 47.6 m-85 -90.49 141.38 28.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.852 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.939 ' HB1' HD11 ' A' ' 8' ' ' LEU . . . -144.11 133.73 23.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.104 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.525 HD12 ' O ' ' A' ' 36' ' ' THR . 41.4 tp -100.05 137.37 38.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 73.5 m95 -105.97 151.21 24.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.7 mt -61.25 -19.99 62.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.97 -11.74 61.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.37 42.52 5.5 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.46 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.525 ' O ' HD12 ' A' ' 31' ' ' LEU . 12.3 p -133.04 151.9 52.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.839 0.352 . . . . 0.0 111.115 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.478 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 11.4 tp -122.95 107.31 11.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.8 136.59 10.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.51 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.7 ' CD2' ' CE2' ' A' ' 29' ' ' PHE . 13.8 p90 -117.89 131.12 56.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.948 0.404 . . . . 0.0 110.903 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.652 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 3.3 m-85 -113.13 173.46 6.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.894 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.499 ' CG ' ' N ' ' A' ' 42' ' ' ASP . 7.9 p80 -60.36 -51.01 71.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.845 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.499 ' N ' ' CG ' ' A' ' 41' ' ' HIS . 4.7 t70 -147.85 -177.55 5.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.821 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 42' ' ' ASP . 17.1 pt-20 -37.62 -39.49 0.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.9 p -73.25 108.3 6.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.164 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.652 ' HB1' ' CE2' ' A' ' 40' ' ' TYR . . . -85.37 51.72 2.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -101.19 -6.09 24.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -129.83 68.68 1.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -52.87 115.11 1.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -82.84 -43.9 16.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 17.2 m-20 -169.01 174.48 6.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -156.03 127.09 7.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.473 HG21 HD11 ' A' ' 92' ' ' LEU . 23.3 m -123.14 136.66 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.4 t -65.28 143.98 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.478 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 18.4 mm -113.41 -38.51 2.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.168 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -59.85 120.29 9.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 41.55 40.03 1.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -123.24 -25.65 4.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.458 HG11 HD11 ' A' ' 61' ' ' ILE . 98.4 t -77.62 101.52 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.439 ' NH1' ' CZ ' ' A' ' 87' ' ' ARG . 5.5 tpt180 -66.33 -49.29 67.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -158.06 167.97 28.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.666 HD12 ' HG2' ' A' ' 110' ' ' MET . 75.2 mt -143.07 124.15 11.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -108.94 147.67 31.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.599 HG22 ' CD1' ' A' ' 82' ' ' LEU . 40.0 t -142.65 143.83 25.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.17 -132.7 52.69 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.521 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 66' ' ' GLU . 1.7 mp0 -42.05 -53.21 4.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.733 0.302 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 67' ' ' CYS . 13.0 mt-10 -34.77 -36.96 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 66' ' ' GLU . 17.9 p -34.25 148.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.417 ' CD ' ' O ' ' A' ' 68' ' ' GLN . 1.1 tm0? -77.73 55.91 1.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 46.7 39.21 6.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.813 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.649 HG23 HD23 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -75.56 -179.88 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -110.3 111.39 57.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.541 0.686 . . . . 0.0 110.942 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 143.54 50.98 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.67 2.246 . . . . 0.0 112.319 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 163.05 39.75 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -64.12 141.9 58.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.35 -60.68 2.94 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.508 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -62.69 176.86 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.838 0.351 . . . . 0.0 110.832 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.5 m -118.53 173.31 6.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.6 mtt85 -69.11 -41.83 76.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.77 -12.23 4.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -81.44 -27.9 46.08 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.649 HD23 HG23 ' A' ' 70' ' ' VAL . 3.6 mp -51.51 137.87 23.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.817 0.341 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.599 ' CD1' HG22 ' A' ' 63' ' ' VAL . 6.4 tp -149.26 111.15 4.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.8 m -108.1 128.69 54.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 48.8 t -110.23 134.8 51.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -101.82 136.39 41.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 25.2 mt -113.55 153.64 28.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.439 ' CZ ' ' NH1' ' A' ' 59' ' ' ARG . 17.0 mtp85 -69.6 -40.14 76.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -51.57 -22.72 3.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.64 62.93 0.79 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.4 t -169.79 119.57 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 110.859 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -83.23 156.55 23.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.473 HD11 HG21 ' A' ' 52' ' ' VAL . 10.8 mt -117.46 111.4 19.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.41 ' O ' HD23 ' A' ' 94' ' ' LEU . 47.9 m-70 -84.51 112.19 20.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 93' ' ' HIS . 17.7 mt -136.18 172.29 13.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 38.2 t -155.44 128.48 8.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.61 162.88 13.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.06 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -69.31 -37.13 77.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.2 p -141.21 154.25 45.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.194 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.33 -25.68 2.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.31 -63.2 1.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -48.93 -38.32 22.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.81 -57.16 13.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 73.5 mt -55.76 -39.77 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.147 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.16 -52.67 41.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -63.52 -39.62 94.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.603 ' HE3' HG22 ' A' ' 61' ' ' ILE . 11.6 ttmt -57.88 -42.87 85.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 93.1 m -75.37 -43.68 49.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.18 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.18 -29.32 70.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 58.2 mt -86.63 -49.0 7.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.666 ' HG2' HD12 ' A' ' 61' ' ' ILE . 8.5 mmt -54.84 -32.17 60.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.66 -62.88 1.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.87 -35.83 11.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.7 -37.88 89.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 35.1 p -116.84 40.96 2.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 94.0 m -158.06 104.99 1.73 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.566 0.698 . . . . 0.0 111.16 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -178.07 2.17 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.644 2.229 . . . . 0.0 112.354 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -136.33 149.05 66.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.606 0.717 . . . . 0.0 111.111 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -50.27 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.644 2.229 . . . . 0.0 112.344 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.09 175.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -48.66 148.12 4.84 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.42 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -170.75 141.34 1.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.877 0.37 . . . . 0.0 111.104 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 58.1 p -106.69 112.78 25.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.133 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -91.92 143.57 27.94 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.613 0.72 . . . . 0.0 111.144 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 162.21 42.92 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.685 2.257 . . . . 0.0 112.335 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 62.9 m -92.61 -50.8 5.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 136.58 80.18 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.468 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -41.15 4.63 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.657 2.238 . . . . 0.0 112.367 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 23.3 t -126.25 104.06 8.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.816 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 6.9 t -59.42 108.5 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.546 -0.222 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.1 p -108.86 90.16 3.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.929 0.395 . . . . 0.0 110.833 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.9 p -111.26 95.37 5.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.84 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.1 50.89 0.14 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.0 p -135.87 162.18 33.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.905 0.383 . . . . 0.0 110.844 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.2 m -150.68 133.07 15.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.45 ' CA ' ' HG ' ' A' ' 33' ' ' LEU . . . 77.62 -66.54 3.0 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.48 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.88 HD11 ' HB1' ' A' ' 30' ' ' ALA . 32.0 tp -92.55 134.56 34.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.35 . . . . 0.0 110.926 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.519 ' HB ' HD23 ' A' ' 31' ' ' LEU . 61.0 t -94.61 -62.19 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.552 ' HB3' ' CH2' ' A' ' 105' ' ' TRP . 4.4 tpm_? -123.59 153.66 40.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -155.04 105.02 0.26 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -162.77 156.81 28.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 49.9 m95 -79.42 134.57 36.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.847 0.356 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.8 HD11 ' NE1' ' A' ' 105' ' ' TRP . 84.8 mt -136.9 142.2 42.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.564 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 87.5 m95 -74.87 119.75 19.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.3 ttt-85 -109.0 140.82 42.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -104.67 148.18 26.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.8 t -85.32 167.82 15.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.4 t -82.45 -39.77 22.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.6 mp -103.91 -46.65 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 22' ' ' ARG . 2.6 mm? -72.96 -16.62 61.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 22' ' ' ARG . 13.5 mtp-105 34.38 42.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 -113.25 137.56 51.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.511 ' CD1' ' HB3' ' A' ' 73' ' ' PRO . 97.0 m95 -76.07 131.74 39.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.945 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.8 ptpt -139.21 141.12 37.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.564 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 15.7 mtp180 -65.77 132.27 48.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -143.15 155.92 44.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -107.37 104.4 13.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.523 ' CE2' ' HB3' ' A' ' 39' ' ' TYR . 37.1 m-85 -100.2 139.97 35.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.88 ' HB1' HD11 ' A' ' 8' ' ' LEU . . . -147.65 130.85 16.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.591 ' O ' HD12 ' A' ' 8' ' ' LEU . 18.3 tp -95.43 143.02 27.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 72.1 m95 -113.48 150.98 32.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.45 ' HG ' ' CA ' ' A' ' 7' ' ' GLY . 3.2 mt -58.0 -34.48 70.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.53 -23.08 3.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.48 35.71 4.58 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.458 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.45 ' O ' HD12 ' A' ' 31' ' ' LEU . 41.5 p -129.17 157.36 42.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.839 0.352 . . . . 0.0 111.141 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.562 HD22 HD11 ' A' ' 54' ' ' ILE . 12.4 tp -123.75 117.23 24.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.45 138.73 13.1 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.523 ' HB3' ' CE2' ' A' ' 29' ' ' PHE . 46.6 p90 -123.68 121.34 35.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.894 0.378 . . . . 0.0 110.91 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.48 ' CD2' ' HA ' ' A' ' 48' ' ' GLU . 3.9 m-85 -105.53 173.7 6.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.877 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -80.9 -43.98 19.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.06 -179.75 3.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 44' ' ' THR . 16.5 tt0 -68.85 -42.04 77.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 43' ' ' GLU . 20.2 p -35.27 -41.19 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.461 ' HA ' ' CG ' ' A' ' 40' ' ' TYR . . . 65.06 38.61 6.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -110.74 -8.3 14.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 48' ' ' GLU . 3.4 t70 -109.65 44.6 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.48 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . 21.6 tt0 -36.95 109.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -75.01 -43.46 53.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -164.56 173.45 12.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -144.53 121.91 11.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 35.7 m -116.01 128.36 73.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.9 t -59.26 143.81 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.562 HD11 HD22 ' A' ' 37' ' ' LEU . 17.4 mm -113.02 -39.74 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.138 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 56' ' ' PHE . 11.4 t-160 -56.55 121.58 10.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.427 ' O ' ' NH2' ' A' ' 87' ' ' ARG . 7.0 m-85 35.81 38.53 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -118.08 -27.3 6.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.568 HG11 HD11 ' A' ' 61' ' ' ILE . 85.2 t -78.11 114.13 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.2 tpt85 -73.72 -50.15 22.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -152.77 174.85 13.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.568 HD11 HG11 ' A' ' 58' ' ' VAL . 70.5 mt -152.95 116.09 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -101.66 126.26 48.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 53.1 t -127.61 130.9 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . 56.19 -130.7 49.78 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 64' ' ' GLY . 0.4 OUTLIER -34.39 -50.78 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.729 0.3 . . . . 0.0 110.901 -179.895 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -41.17 -48.47 3.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.66 106.77 18.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -116.21 -12.8 11.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -93.05 25.32 3.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.4 t -136.59 135.15 49.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -96.1 122.05 59.1 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.562 0.696 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 155.31 66.23 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.701 2.267 . . . . 0.0 112.328 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.511 ' HB3' ' CD1' ' A' ' 24' ' ' TRP . 53.9 Cg_endo -69.75 142.89 49.22 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.614 2.209 . . . . 0.0 112.4 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -54.9 108.67 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 131.68 -56.1 0.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.435 ' HD2' ' N ' ' A' ' 76' ' ' ARG . 8.6 mpt_? -75.02 175.49 8.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.807 0.337 . . . . 0.0 110.873 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 t -102.13 178.57 4.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -83.55 -6.92 59.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -78.98 -6.18 55.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.13 -26.23 22.13 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.461 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.2 mp -42.72 130.67 4.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.858 0.361 . . . . 0.0 110.925 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.1 tp -151.82 110.34 3.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.4 m -116.37 128.74 55.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 81.5 t -110.46 130.79 63.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -98.93 145.1 27.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 45.7 mt -114.22 152.31 31.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.427 ' NH2' ' O ' ' A' ' 56' ' ' PHE . 5.4 ptp180 -76.37 -20.43 57.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -70.31 -44.55 68.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 132.52 57.54 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.495 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.1 t -165.83 132.59 2.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.862 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -101.34 146.02 28.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.4 mt -111.89 104.83 13.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -81.84 113.82 20.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.867 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 88.4 mt -131.78 176.41 8.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.461 ' N ' ' O ' ' A' ' 15' ' ' TRP . 36.5 t -161.89 139.36 8.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -107.8 179.93 4.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.467 ' HG3' HG23 ' A' ' 98' ' ' THR . 15.9 pt-20 -88.43 -44.15 10.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.467 HG23 ' HG3' ' A' ' 97' ' ' GLU . 69.7 p -120.99 173.99 6.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.163 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 21.5 ptt-85 -72.72 -43.06 63.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -52.89 -57.4 10.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -50.5 -49.68 54.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.91 -48.97 74.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.096 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 72.7 mt -61.45 -45.23 99.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -49.52 -51.12 38.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.8 ' NE1' HD11 ' A' ' 14' ' ' LEU . 39.0 m95 -59.44 -44.51 92.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 58.2 tttt -57.14 -39.91 76.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 97.0 m -73.17 -41.64 63.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.84 -26.3 66.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 36.4 mt -86.06 -54.6 4.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.515 ' HG2' HD12 ' A' ' 61' ' ' ILE . 13.2 mmt -51.13 -40.57 58.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.869 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -60.61 -68.56 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.61 -43.98 46.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.092 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.55 -34.19 72.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -120.93 47.77 1.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.811 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.4 ' HA ' ' HD2' ' A' ' 116' ' ' PRO . 99.0 m -160.51 107.82 1.34 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.605 0.717 . . . . 0.0 111.16 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 115' ' ' THR . 54.0 Cg_endo -69.74 -173.26 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.366 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.429 ' N ' ' CD ' ' A' ' 118' ' ' PRO . . . 66.67 54.48 0.84 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.592 0.711 . . . . 0.0 111.13 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.429 ' CD ' ' N ' ' A' ' 117' ' ' ALA . 53.5 Cg_endo -69.79 -8.62 24.07 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.657 2.238 . . . . 0.0 112.377 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.19 167.34 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.498 ' O ' ' HB3' ' A' ' 121' ' ' ALA . . . 165.35 83.63 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.531 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 120' ' ' GLY . . . 71.9 36.38 1.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.826 0.346 . . . . 0.0 111.058 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 11.0 t -145.37 164.7 30.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 33.9 m -64.81 141.09 98.25 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.605 0.717 . . . . 0.0 111.146 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 113.48 3.4 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.626 2.217 . . . . 0.0 112.345 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.6 m -174.96 161.54 2.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -146.77 -173.1 17.71 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.462 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 170.25 17.01 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.683 2.255 . . . . 0.0 112.353 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 22.9 m -84.68 -55.46 4.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.6 t -131.96 93.07 3.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m -146.21 178.15 8.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.0 110.857 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -132.96 114.05 13.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.96 123.03 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.489 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.5 m -63.2 107.32 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.37 . . . . 0.0 110.839 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.1 t -64.53 -50.36 67.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.91 -43.4 1.68 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.46 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.483 HD12 ' CZ3' ' A' ' 32' ' ' TRP . 2.1 tt -101.32 139.35 37.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 110.915 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.409 ' N ' HD23 ' A' ' 8' ' ' LEU . 59.3 t -86.49 -60.86 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.149 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -163.28 165.05 24.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.561 ' HA3' ' CZ2' ' A' ' 28' ' ' TRP . . . -125.36 -159.88 10.49 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 127.66 123.74 2.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 62.4 m95 -65.41 147.72 52.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.816 0.341 . . . . 0.0 110.939 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.537 HD11 ' NE1' ' A' ' 105' ' ' TRP . 39.2 mt -147.6 137.24 22.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.449 ' CH2' ' HD2' ' A' ' 26' ' ' ARG . 93.0 m95 -78.38 119.99 22.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.971 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.7 ttp85 -108.13 137.31 46.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.578 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 7.0 tt0 -101.85 124.27 47.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.964 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.7 t -83.58 168.25 16.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.835 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.2 m -93.95 -40.34 10.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.3 mp -82.73 -49.07 17.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.167 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 22' ' ' ARG . 6.6 tp -80.82 -12.22 59.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 21' ' ' LEU . 1.2 ptp180 34.41 47.82 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -137.51 150.99 47.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.578 ' CZ3' ' HB2' ' A' ' 17' ' ' GLN . 99.2 m95 -82.9 132.77 35.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.36 144.09 50.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.449 ' HD2' ' CH2' ' A' ' 15' ' ' TRP . 27.5 mtt180 -79.29 133.39 36.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -148.62 142.98 26.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.561 ' CZ2' ' HA3' ' A' ' 11' ' ' GLY . 20.8 t-105 -95.58 98.2 10.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.542 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 37.8 m-85 -83.62 115.23 22.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.51 126.84 55.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 36' ' ' THR . 51.9 tp -93.61 136.12 34.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.483 ' CZ3' HD12 ' A' ' 8' ' ' LEU . 62.1 m95 -107.07 146.07 31.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.92 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.43 ' N ' HD23 ' A' ' 33' ' ' LEU . 3.0 mt -57.59 -27.56 62.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -59.11 -16.41 19.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.46 42.06 4.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.478 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.57 ' O ' HD12 ' A' ' 31' ' ' LEU . 25.1 p -135.45 161.13 36.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 0.0 111.14 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.557 HD22 HD11 ' A' ' 54' ' ' ILE . 10.5 tp -127.76 111.22 13.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.53 131.77 7.74 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -113.55 126.83 55.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.888 0.375 . . . . 0.0 110.902 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.453 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 4.9 m-85 -116.25 171.95 7.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -52.77 -62.68 1.49 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.64 -179.61 4.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -45.2 -42.82 9.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.4 p -74.61 106.7 6.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.453 ' HB1' ' CE2' ' A' ' 40' ' ' TYR . . . -65.05 91.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -113.01 -48.94 2.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -106.38 94.19 5.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.83 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -66.11 101.23 0.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -70.63 -46.01 64.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -172.7 172.33 4.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -152.65 122.02 6.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.529 HG21 HD11 ' A' ' 92' ' ' LEU . 26.8 m -113.95 140.11 36.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.8 t -69.5 135.31 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.557 HD11 HD22 ' A' ' 37' ' ' LEU . 13.3 mm -105.3 -43.18 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 56' ' ' PHE . 14.1 t-160 -50.35 121.83 6.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 55' ' ' HIS . 42.4 m-85 36.03 45.9 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -123.39 -24.28 4.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.703 HG11 HD11 ' A' ' 61' ' ' ILE . 60.5 t -80.01 104.06 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.2 tpp85 -72.38 -39.01 68.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.437 ' OD2' ' CG ' ' A' ' 85' ' ' ASN . 2.6 p-10 -162.82 163.46 26.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.803 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.703 HD11 HG11 ' A' ' 58' ' ' VAL . 59.2 mt -147.99 122.96 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.411 ' HB3' ' CB ' ' A' ' 66' ' ' GLU . 19.1 mttm -111.22 150.92 28.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.454 HG22 HD13 ' A' ' 82' ' ' LEU . 95.6 t -141.45 133.75 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.132 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.49 -140.57 35.49 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -41.91 -36.63 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.756 0.313 . . . . 0.0 110.917 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.411 ' CB ' ' HB3' ' A' ' 62' ' ' LYS . 37.5 mt-10 -52.01 -43.45 63.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 83.2 m -58.68 163.89 3.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -58.54 -174.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -82.03 39.72 0.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 44.6 t -69.99 152.58 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -99.12 119.19 61.3 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.567 0.699 . . . . 0.0 110.941 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 147.58 63.61 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.706 2.271 . . . . 0.0 112.343 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 151.56 68.91 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 2.263 . . . . 0.0 112.305 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -38.45 145.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.95 -57.08 4.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.46 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.462 ' HD3' ' N ' ' A' ' 76' ' ' ARG . 0.7 OUTLIER -59.23 167.92 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 -179.85 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 46.3 m -125.33 168.47 13.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.836 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -62.96 -35.57 80.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.806 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.51 -9.94 10.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -87.93 -26.46 29.07 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.544 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.8 mp -48.93 142.15 6.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.847 0.356 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.454 HD13 HG22 ' A' ' 63' ' ' VAL . 10.8 tp -151.94 111.04 3.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 68.7 m -111.38 133.96 53.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.577 HG13 HG12 ' A' ' 61' ' ' ILE . 58.7 t -119.38 139.81 45.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.437 ' CG ' ' OD2' ' A' ' 60' ' ' ASP . 2.8 m120 -103.14 133.31 48.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 42.0 mt -110.93 142.72 42.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 17.6 mtp85 -51.83 -36.86 49.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -53.19 -30.26 36.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 128.12 -46.31 1.09 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 74.1 m -69.47 154.05 42.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.361 . . . . 0.0 110.879 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.419 ' HG2' ' CG ' ' A' ' 85' ' ' ASN . 62.4 mtt180 -118.02 143.55 46.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.529 HD11 HG21 ' A' ' 52' ' ' VAL . 9.9 mt -87.28 118.49 26.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -99.53 110.31 22.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.542 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 22.0 mt -132.68 174.09 10.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 15' ' ' TRP . 42.1 t -154.2 125.97 7.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.2 174.18 7.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -80.58 -33.64 35.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 81.4 p -131.33 -175.85 3.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -89.21 -14.83 35.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.808 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -80.22 -47.7 14.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.88 -38.45 82.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.73 -55.49 34.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 60.8 mt -53.43 -46.01 58.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.156 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -49.05 -51.18 32.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.107 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.537 ' NE1' HD11 ' A' ' 14' ' ' LEU . 35.9 m95 -60.92 -41.76 96.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -56.19 -42.88 77.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 87.1 m -71.49 -43.09 67.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.07 -29.82 71.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.076 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 40.9 mt -85.36 -52.41 5.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 5.8 mmt -49.74 -44.25 48.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -63.21 -63.32 1.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.17 -38.52 11.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.85 -41.75 98.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.3 t -116.28 41.84 2.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 52.0 m -157.09 104.99 1.9 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.602 0.715 . . . . 0.0 111.125 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -177.16 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.7 2.266 . . . . 0.0 112.37 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -139.38 151.24 66.55 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.605 0.717 . . . . 0.0 111.073 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.84 -12.38 32.63 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.631 2.22 . . . . 0.0 112.381 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.3 166.78 18.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -113.09 -171.78 18.18 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.456 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -94.54 85.83 4.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.831 0.348 . . . . 0.0 111.071 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 25.7 m -122.14 145.25 48.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.2 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 86.5 t -88.66 111.89 46.92 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.598 0.713 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 98.09 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.724 2.283 . . . . 0.0 112.327 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 60.1 p -55.45 158.2 3.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 149.84 -112.19 0.54 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.452 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 156.27 63.81 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.673 2.249 . . . . 0.0 112.343 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 27.9 t -154.4 155.88 35.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 12.2 m -60.21 174.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.521 -179.963 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.687 HD21 ' O ' ' A' ' 10' ' ' ARG . 3.1 tt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.849 0.357 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.474 ' N ' HD23 ' A' ' 8' ' ' LEU . 65.7 t -91.92 -58.84 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.687 ' O ' HD21 ' A' ' 8' ' ' LEU . 36.1 ttm-85 -144.49 158.54 43.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -154.69 96.17 0.16 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.526 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -133.83 179.13 17.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.478 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 71.4 m95 -98.82 129.69 45.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.864 0.364 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.842 HD11 ' NE1' ' A' ' 105' ' ' TRP . 33.1 mt -131.64 153.86 49.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.557 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 89.8 m95 -91.03 120.86 32.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.1 ttp85 -111.61 136.77 50.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.93 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 55.1 ttt-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.768 0.318 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.468 ' CH2' ' HB2' ' A' ' 95' ' ' CYS . 90.0 m95 -76.24 147.25 38.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.55 156.36 43.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.557 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 49.7 mtm180 -78.55 131.49 36.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -146.2 141.42 27.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.592 ' CH2' ' HB2' ' A' ' 30' ' ' ALA . 80.1 t90 -98.42 107.74 20.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.411 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 15.9 m-85 -95.29 133.11 39.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.858 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.592 ' HB2' ' CH2' ' A' ' 28' ' ' TRP . . . -133.22 124.76 27.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 36' ' ' THR . 21.5 tp -93.6 137.7 32.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.533 ' CZ3' HD12 ' A' ' 8' ' ' LEU . 64.8 m95 -105.17 148.95 26.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.9 mt -58.72 -36.52 74.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -53.82 -18.12 3.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.87 38.56 4.09 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.519 ' O ' HD12 ' A' ' 31' ' ' LEU . 24.4 p -126.98 159.21 34.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 111.137 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.534 ' HB2' HD11 ' A' ' 54' ' ' ILE . 10.3 tp -129.34 113.01 14.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.31 134.36 8.55 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -118.29 127.5 53.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.903 0.383 . . . . 0.0 110.881 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.548 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 1.6 m-85 -111.63 168.19 9.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.938 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -48.31 -55.92 9.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 43' ' ' GLU . 1.1 m-20 -135.66 171.82 13.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 42' ' ' ASP . 7.9 pt-20 -36.34 -42.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 67.1 p -73.44 107.33 5.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.548 ' HB1' ' CE2' ' A' ' 40' ' ' TYR . . . -70.39 84.21 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -114.35 -41.94 3.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -117.93 79.13 1.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.413 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . 5.0 pt-20 -54.82 126.22 23.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -85.28 -43.48 13.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -170.69 175.41 4.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -152.17 122.78 7.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.455 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 35.3 m -114.8 156.61 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.45 HG12 ' HB2' ' A' ' 57' ' ' ASN . 66.2 t -82.93 137.56 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.534 HD11 ' HB2' ' A' ' 37' ' ' LEU . 13.0 mm -108.43 -42.28 5.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 56' ' ' PHE . 25.7 t-80 -57.38 121.44 10.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 55' ' ' HIS . 24.6 m-85 37.05 47.4 0.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.45 ' HB2' HG12 ' A' ' 53' ' ' VAL . 4.4 t30 -128.27 -37.43 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.63 HG11 HD11 ' A' ' 61' ' ' ILE . 57.4 t -66.17 110.67 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.9 ttt85 -73.0 -41.78 63.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.445 ' C ' HG13 ' A' ' 61' ' ' ILE . 14.8 t70 -165.96 170.1 14.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.63 HD11 HG11 ' A' ' 58' ' ' VAL . 90.3 mt -151.63 126.1 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.078 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -106.08 154.24 20.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.601 HG13 ' HB1' ' A' ' 102' ' ' ALA . 99.1 t -149.15 133.88 9.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . 65.25 -143.93 46.86 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.513 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.453 ' O ' ' C ' ' A' ' 66' ' ' GLU . 48.4 tp60 -37.34 -42.8 0.51 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.737 0.303 . . . . 0.0 110.914 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' GLN . 24.9 mt-10 -33.98 -43.57 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 21.9 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.888 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.471 ' CA ' HD11 ' A' ' 81' ' ' LEU . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 121.604 0.585 . . . . 0.0 112.344 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -165.77 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.701 2.267 . . . . 0.0 112.367 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -70.72 132.44 45.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.31 -61.98 3.86 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -48.09 176.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.855 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.39 161.53 36.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -58.65 -11.39 3.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -85.45 24.37 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -137.72 -30.55 0.25 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.471 HD11 ' CA ' ' A' ' 72' ' ' PRO . 6.8 mp -36.74 151.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.767 0.317 . . . . 0.0 110.937 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.492 HD12 HG22 ' A' ' 63' ' ' VAL . 6.9 tt -168.85 125.99 0.99 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 36.1 m -129.59 140.37 51.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.578 HG13 HG12 ' A' ' 61' ' ' ILE . 61.3 t -115.7 139.88 40.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.148 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -108.25 139.93 42.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 37.6 mt -109.61 144.98 37.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -55.78 -32.41 63.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -61.81 -20.04 63.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 120.21 -49.84 0.86 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.473 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 73.2 m -61.53 152.38 30.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.348 . . . . 0.0 110.888 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -118.76 -178.65 3.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.2 mt -133.33 112.89 12.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 43.0 m80 -84.18 115.78 22.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.411 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 25.5 mt -136.36 172.62 12.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.468 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 25.2 t -160.06 120.66 3.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.31 141.43 28.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -49.15 -39.61 29.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 64.7 p -134.15 163.99 28.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -59.09 -41.42 88.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -50.72 -54.29 24.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.3 -49.2 72.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.601 ' HB1' HG13 ' A' ' 63' ' ' VAL . . . -52.46 -54.37 33.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 63.5 mt -55.6 -46.84 79.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.17 -44.52 61.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.842 ' NE1' HD11 ' A' ' 14' ' ' LEU . 20.8 m95 -70.24 -41.37 73.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.944 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 57.2 tttt -59.77 -45.29 92.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 86.4 m -72.96 -43.57 62.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.66 -30.44 70.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.054 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 58.9 mt -84.85 -58.89 2.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.581 ' HG2' HD12 ' A' ' 61' ' ' ILE . 8.0 mmt -43.45 -42.13 4.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -64.39 -62.1 1.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -48.98 -31.59 7.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -69.44 -38.93 78.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -122.65 43.07 3.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 98.3 m -159.32 104.98 1.52 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.542 0.686 . . . . 0.0 111.155 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.244 . . . . 0.0 112.371 179.926 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.5 tp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.819 0.342 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.3 t -109.09 -58.9 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.7 ttm-85 -159.73 154.01 23.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.428 ' HA3' ' CZ2' ' A' ' 28' ' ' TRP . . . -120.28 -148.64 8.15 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 127.77 177.55 14.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 72.2 m95 -123.22 136.47 54.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.842 0.353 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.655 HD11 ' NE1' ' A' ' 105' ' ' TRP . 10.3 mt -143.47 155.56 44.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.553 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 98.5 m95 -91.23 118.85 30.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.454 ' HB2' ' CD2' ' A' ' 94' ' ' LEU . 17.4 ttt85 -108.68 143.27 37.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.949 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.9 mtp85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.843 0.354 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.448 ' CD1' ' HB3' ' A' ' 73' ' ' PRO . 92.3 m95 -80.77 137.82 36.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 pttt -143.45 145.45 32.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.553 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 14.4 mtp85 -64.98 140.98 58.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -155.44 131.53 10.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.428 ' CZ2' ' HA3' ' A' ' 11' ' ' GLY . 8.8 t-105 -87.15 112.17 21.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.493 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 24.0 m-85 -98.05 148.72 23.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.918 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.32 131.81 12.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.061 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.6 tp -94.48 139.11 31.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -105.36 153.9 21.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mt -67.51 -25.46 65.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -63.51 -11.15 21.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.04 42.42 5.31 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.523 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.2 p -138.49 158.98 43.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 0.0 111.159 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.465 ' HB2' HD11 ' A' ' 54' ' ' ILE . 11.9 tp -125.97 120.25 29.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.949 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.84 139.4 11.7 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -113.88 122.82 48.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.855 0.359 . . . . 0.0 110.917 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.716 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 47.1 m-85 -113.76 170.95 7.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.95 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -67.56 -54.01 23.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -138.98 -177.24 4.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -42.79 -30.2 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.9 p -82.43 112.47 19.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.716 ' HB1' ' CE2' ' A' ' 40' ' ' TYR . . . -82.14 40.36 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -83.71 -38.07 21.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -90.59 42.16 1.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -37.55 114.76 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -86.33 -51.66 6.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -174.86 173.48 2.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -153.32 124.46 7.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.7 m -105.27 171.17 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.7 t -89.63 139.48 17.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.465 HD11 ' HB2' ' A' ' 37' ' ' LEU . 8.9 mm -108.72 -40.71 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 56' ' ' PHE . 32.5 t-80 -54.04 120.07 5.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 55' ' ' HIS . 43.5 m-85 36.82 42.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -121.51 -12.22 8.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.451 HG11 HD11 ' A' ' 61' ' ' ILE . 85.3 t -90.28 101.16 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.42 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 3.3 tpt180 -68.05 -44.66 75.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.42 ' CG ' ' O ' ' A' ' 59' ' ' ARG . 10.6 m-20 -161.44 159.68 28.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.451 HD11 HG11 ' A' ' 58' ' ' VAL . 26.2 mt -138.18 121.0 19.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.438 ' HB3' ' CB ' ' A' ' 66' ' ' GLU . 17.8 mtpp -107.01 140.5 39.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.464 HG22 ' CD1' ' A' ' 82' ' ' LEU . 86.0 t -138.22 140.67 39.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . 50.4 -126.88 25.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 64' ' ' GLY . 32.7 mt-30 -35.15 -55.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.775 0.321 . . . . 0.0 110.928 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.438 ' CB ' ' HB3' ' A' ' 62' ' ' LYS . 22.9 mt-10 -36.5 -50.52 0.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 59.6 m . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 -179.894 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.43 ' HB3' ' CD1' ' A' ' 81' ' ' LEU . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 121.532 0.555 . . . . 0.0 112.377 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.463 ' HG2' ' CG ' ' A' ' 76' ' ' ARG . 53.8 Cg_endo -69.78 -172.94 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.68 2.253 . . . . 0.0 112.332 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.489 ' C ' ' CD ' ' A' ' 74' ' ' GLU . 2.8 tm-20 -76.87 122.84 25.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.6 -34.47 5.55 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.463 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 6.5 mpt_? -70.34 -177.39 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 0.0 110.847 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.4 m -128.79 153.33 47.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.3 mtm180 -61.5 -53.99 49.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -46.51 -20.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -74.32 -38.54 45.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.43 ' CD1' ' HB3' ' A' ' 72' ' ' PRO . 5.5 mp -37.82 142.51 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.464 ' CD1' HG22 ' A' ' 63' ' ' VAL . 6.5 tp -156.77 115.65 3.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.9 m -116.77 113.73 22.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.176 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 92' ' ' LEU . 97.3 t -98.66 123.9 51.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -86.58 139.25 31.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 78.0 mt -119.0 143.42 47.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -53.8 -44.82 70.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -43.88 -29.77 0.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 107.33 34.05 3.01 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.485 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 m -149.9 107.52 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.904 0.383 . . . . 0.0 110.852 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.16 175.85 3.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 84' ' ' VAL . 8.6 mt -127.62 108.16 10.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -77.96 123.66 27.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.493 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 39.2 mt -146.75 174.62 11.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 51.6 t -156.1 115.12 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.578 ' HB3' ' HB2' ' A' ' 102' ' ' ALA . . . -87.37 150.7 23.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -52.92 -60.19 3.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 44.4 p -113.59 177.75 4.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -71.83 -31.81 66.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -61.43 -63.48 1.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -46.56 -45.0 18.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.578 ' HB2' ' HB3' ' A' ' 96' ' ' ALA . . . -57.08 -51.71 68.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.062 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 52.6 mt -59.3 -41.35 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.124 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -47.54 -53.94 13.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.655 ' NE1' HD11 ' A' ' 14' ' ' LEU . 69.9 m95 -61.38 -44.36 97.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 28.9 tttm -53.45 -46.62 69.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 94.5 m -72.49 -43.91 63.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.147 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.54 -31.12 71.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 42.9 mt -84.85 -54.34 4.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.417 ' HG2' HD12 ' A' ' 61' ' ' ILE . 10.2 mmt -47.23 -36.49 9.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.64 -67.92 0.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -46.58 -38.91 10.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.084 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.83 -39.36 77.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.4 t -117.61 43.26 2.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 15.6 m -153.86 104.93 2.48 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.562 0.696 . . . . 0.0 111.191 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.337 179.935 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.4 tp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.803 0.335 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.405 HG23 HD23 ' A' ' 33' ' ' LEU . 77.2 t -101.68 -57.04 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.3 ttm-85 -153.84 160.15 42.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -131.18 -119.04 2.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 77.57 -178.97 51.38 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 39.2 m95 -113.45 154.04 27.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.739 0.304 . . . . 0.0 110.94 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.47 HD11 ' NE1' ' A' ' 105' ' ' TRP . 93.7 mt -149.99 145.07 26.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.948 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.542 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 95.9 m95 -81.43 123.64 28.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.3 ttt85 -109.5 141.13 42.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.8 mtt-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.771 0.319 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -79.7 145.21 33.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -146.81 137.57 23.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.542 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 21.5 mtp180 -70.14 129.79 40.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -143.16 150.45 39.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -101.91 101.88 12.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.641 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 33.2 m-85 -91.79 141.08 29.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.65 124.97 12.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.523 HD12 ' O ' ' A' ' 36' ' ' THR . 16.1 tp -91.91 135.9 33.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -106.11 146.48 30.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.405 HD23 HG23 ' A' ' 9' ' ' VAL . 3.1 mt -55.01 -35.08 64.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -50.3 -18.41 0.61 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.59 30.29 7.74 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.523 ' O ' HD12 ' A' ' 31' ' ' LEU . 16.3 p -124.34 163.17 22.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.827 0.346 . . . . 0.0 111.144 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.458 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 7.5 tp -130.29 117.9 20.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.37 139.92 13.03 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.443 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.431 ' CZ ' ' HB2' ' A' ' 50' ' ' ASP . 19.5 p90 -124.77 115.59 20.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.893 0.378 . . . . 0.0 110.959 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.514 ' CD2' ' HA ' ' A' ' 45' ' ' ALA . 5.7 m-85 -102.61 176.18 5.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.951 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -66.84 -47.68 71.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 43' ' ' GLU . 10.5 p-10 -151.85 -175.97 5.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 42' ' ' ASP . 8.5 tm-20 -34.99 -41.73 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.4 p -67.16 98.81 0.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.514 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . . . -82.4 44.67 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -99.65 -30.84 11.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 48' ' ' GLU . 4.3 t0 -87.85 43.72 1.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 47' ' ' ASP . 30.0 tt0 -35.81 102.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -75.42 -55.31 5.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.431 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 3.9 m-20 -159.2 176.18 12.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 51' ' ' ARG . 14.6 ttp-105 -154.92 118.98 4.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.1 m -107.31 159.94 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.0 t -86.35 139.58 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.458 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 19.8 mm -108.61 -39.2 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -60.39 120.82 10.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 38.32 47.03 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -126.05 -32.25 2.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 77.3 t -71.22 119.93 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -82.52 -42.68 18.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -162.84 168.81 20.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 77.4 mt -146.71 120.84 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -104.68 145.12 30.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.8 t -143.7 137.21 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.44 -132.56 32.69 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.481 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 67' ' ' CYS . 14.1 pt20 -50.22 -39.82 45.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.73 0.3 . . . . 0.0 110.881 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 65' ' ' GLN . 10.8 mt-10 -34.76 -33.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 65' ' ' GLN . 20.2 p . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.23 0.125 0 CA-C-O 121.565 0.569 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 74' ' ' GLU . 53.2 Cg_endo -69.78 151.83 69.04 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.641 2.227 . . . . 0.0 112.365 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 73' ' ' PRO . 4.2 tp10 -37.57 120.61 0.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.79 -58.18 0.63 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.467 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -52.72 173.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.353 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.2 t -115.91 165.12 13.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.2 mtp180 -74.76 -4.71 39.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.57 -22.58 28.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -82.25 -12.17 81.12 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.524 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.2 mp -54.17 147.39 13.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 tp -158.8 112.72 2.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 96.9 m -115.05 115.69 27.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.182 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 44.8 t -94.53 146.19 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.095 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -116.18 134.51 54.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 37.8 mt -107.13 156.43 18.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -78.69 -23.56 45.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -62.47 -52.62 62.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 143.09 52.83 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -174.64 139.22 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 0.0 110.859 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -103.5 171.44 7.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.0 mt -126.32 102.29 7.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -79.38 98.29 6.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.804 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.641 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 10.0 mt -118.37 176.87 5.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 45.7 t -155.89 126.93 7.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.422 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -93.67 173.18 7.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -74.98 -46.71 33.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.6 p -132.2 143.26 49.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.435 ' NH1' ' OD1' ' A' ' 100' ' ' ASP . 0.0 OUTLIER -40.9 -27.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.435 ' OD1' ' NH1' ' A' ' 99' ' ' ARG . 2.7 m-20 -59.28 -66.0 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.422 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 2.6 t70 -50.05 -49.44 51.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.38 -46.39 37.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.162 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 60.6 mt -69.67 -37.46 74.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.56 -43.13 68.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.47 ' NE1' HD11 ' A' ' 14' ' ' LEU . 68.5 m95 -67.69 -44.0 78.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 37.2 tttt -51.1 -43.18 61.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 91.4 m -73.06 -43.61 61.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.04 -29.87 70.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.04 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 54.9 mt -85.49 -48.99 8.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 19.8 mmt -55.13 -42.01 72.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -65.89 -64.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.13 -37.94 23.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.103 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -64.19 -40.87 97.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.3 t -115.7 45.52 1.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 96.9 m -165.71 105.04 0.73 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.54 0.686 . . . . 0.0 111.147 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--N 1.341 0.152 0 C-N-CA 122.655 2.236 . . . . 0.0 112.314 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 tp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.857 0.361 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.6 t -91.29 -61.64 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -151.54 155.28 38.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -135.2 136.24 8.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.509 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -173.15 142.24 6.58 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.44 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -68.74 133.7 48.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.795 0.331 . . . . 0.0 110.934 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.437 HD11 ' NE1' ' A' ' 105' ' ' TRP . 66.7 mt -131.13 143.48 50.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.516 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 73.7 m95 -84.24 121.07 26.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.4 ttt-85 -118.57 144.31 46.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.917 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.8 ttt180 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.76 0.314 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -89.07 142.57 27.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -144.25 141.23 29.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.516 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 9.2 mtt180 -73.79 138.12 44.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -151.53 139.47 20.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -88.39 103.53 15.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.566 ' CE2' ' CD2' ' A' ' 39' ' ' TYR . 30.9 m-85 -90.81 122.26 33.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.61 139.14 54.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.127 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 31.3 tp -106.6 133.69 50.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -103.84 148.96 25.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mt -59.33 -27.64 66.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -59.26 -15.56 16.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.75 35.52 6.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.519 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.2 p -127.97 145.31 51.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.816 0.341 . . . . 0.0 111.156 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.64 ' HB2' HD11 ' A' ' 54' ' ' ILE . 11.2 tp -110.64 117.69 34.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.52 127.18 5.17 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.46 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.566 ' CD2' ' CE2' ' A' ' 29' ' ' PHE . 11.8 p90 -110.82 150.86 28.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.893 0.378 . . . . 0.0 110.925 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.574 ' CD2' ' HA ' ' A' ' 48' ' ' GLU . 2.4 m-85 -136.49 174.92 10.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.557 ' CD2' ' OD2' ' A' ' 47' ' ' ASP . 16.7 m-70 -77.52 -31.38 53.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.87 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 44' ' ' THR . 33.6 t0 -162.55 179.6 7.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -39.88 -27.12 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 42' ' ' ASP . 61.9 p -67.56 97.62 0.61 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.492 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . . . -70.69 -17.98 62.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -60.08 -13.91 14.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.557 ' OD2' ' CD2' ' A' ' 41' ' ' HIS . 6.7 t70 -103.93 45.18 0.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.574 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . 6.3 pt-20 -49.94 106.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -73.28 -35.72 66.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 5.1 t70 -174.85 174.27 2.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -155.62 119.65 4.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.461 HG22 ' HB3' ' A' ' 37' ' ' LEU . 22.6 m -115.3 164.87 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 63.1 t -90.01 136.04 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.64 HD11 ' HB2' ' A' ' 37' ' ' LEU . 32.6 mm -107.61 -43.24 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 56' ' ' PHE . 14.5 t60 -49.3 117.54 2.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.436 ' C ' ' O ' ' A' ' 55' ' ' HIS . 19.3 m-85 35.0 47.98 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -123.52 -24.47 4.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.64 HG11 HD11 ' A' ' 61' ' ' ILE . 60.0 t -75.51 106.65 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.084 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.429 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 4.6 tpt180 -73.73 -38.35 64.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 59' ' ' ARG . 18.7 m-20 -162.12 171.64 17.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.746 HD12 ' HG2' ' A' ' 110' ' ' MET . 83.5 mt -152.82 118.2 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.144 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -105.22 143.04 33.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.6 t -140.74 134.53 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . 61.45 -133.66 47.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.52 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 66' ' ' GLU . 45.8 tt0 -37.43 -50.14 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.735 0.302 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 65' ' ' GLN . 26.4 mt-10 -37.48 -51.21 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 81.9 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 121.544 0.56 . . . . 0.0 112.314 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 162.78 40.78 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.709 2.272 . . . . 0.0 112.301 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -66.54 131.24 45.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.51 -59.52 0.5 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.504 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -64.86 -178.98 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.792 0.33 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.1 m -123.46 164.69 18.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -56.25 -43.56 78.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -54.3 -16.94 2.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -77.23 -32.47 48.05 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 mp -46.24 151.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 110.948 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.7 tp -166.23 110.78 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.4 m -112.2 133.63 54.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 98.8 t -113.69 129.02 70.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -94.21 139.71 30.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.6 mt -117.87 145.23 44.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 88' ' ' GLU . 25.0 mtt180 -61.85 -45.15 95.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 87' ' ' ARG . 9.9 pt-20 -36.67 -47.1 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 132.73 45.11 0.13 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.468 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 t -161.55 160.37 28.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 0.0 110.847 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.1 ptt-85 -117.43 164.15 15.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.9 mt -121.92 107.46 12.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -82.69 110.65 17.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.821 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 16.2 mt -130.76 167.82 18.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.477 ' N ' ' O ' ' A' ' 15' ' ' TRP . 2.7 t -150.61 123.24 8.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -86.73 -176.94 5.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.464 ' HG2' ' N ' ' A' ' 98' ' ' THR . 24.4 pm0 -96.72 -32.66 12.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.464 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 80.5 p -135.1 151.76 51.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.165 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 30.0 ptt180 -55.82 -41.62 74.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -55.76 -51.82 66.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.77 -51.15 70.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.55 -52.35 23.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.132 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 85.9 mt -59.09 -40.76 81.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.175 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.49 -47.45 66.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.102 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.437 ' NE1' HD11 ' A' ' 14' ' ' LEU . 32.0 m95 -60.87 -47.13 87.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -50.03 -40.86 46.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 87.2 m -73.61 -44.97 55.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.2 -29.41 70.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 44.4 mt -85.41 -51.91 6.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.746 ' HG2' HD12 ' A' ' 61' ' ' ILE . 8.6 mmt -57.34 -32.6 66.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -68.77 -67.6 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.16 -28.56 7.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.162 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -65.42 -43.53 90.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 67.1 m -114.01 42.72 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.821 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 13.4 m -157.36 105.08 1.85 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.588 0.708 . . . . 0.0 111.138 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.201 0 C-N-CA 122.689 2.259 . . . . 0.0 112.306 179.943 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.769 HD11 ' HB1' ' A' ' 30' ' ' ALA . 25.5 tp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.835 0.35 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 36.7 t -99.58 -60.75 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 10' ' ' ARG . 3.4 ptp180 -150.24 173.65 13.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.42 -147.45 4.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.24 159.77 10.96 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 53.2 m95 -101.03 140.99 34.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.767 0.318 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.466 HD11 ' NE1' ' A' ' 105' ' ' TRP . 24.1 mt -139.11 143.66 38.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.553 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 86.6 m95 -84.65 115.56 22.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.448 ' HB2' ' CD2' ' A' ' 94' ' ' LEU . 16.8 ttp85 -108.2 139.73 42.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.1 mtm180 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.809 0.338 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.512 ' CG ' ' HB3' ' A' ' 73' ' ' PRO . 98.8 m95 -68.19 144.09 55.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -143.43 145.82 32.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.553 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 28.0 mtm180 -76.08 124.3 27.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -140.22 132.09 27.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 46.6 t90 -91.91 104.79 17.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -95.3 137.8 33.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.769 ' HB1' HD11 ' A' ' 8' ' ' LEU . . . -138.86 143.84 38.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.053 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.424 HD12 ' O ' ' A' ' 36' ' ' THR . 52.7 tp -96.51 148.04 23.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.95 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -116.39 156.17 27.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mt -66.12 -20.29 66.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -83.92 20.13 1.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 57.28 58.32 15.17 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.498 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.424 ' O ' HD12 ' A' ' 31' ' ' LEU . 19.1 p -145.08 153.69 41.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 0.0 111.115 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.454 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 11.5 tp -122.68 107.0 11.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.6 129.63 8.53 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.47 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -115.69 145.45 42.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.926 0.393 . . . . 0.0 110.912 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.522 ' CD2' ' HA ' ' A' ' 48' ' ' GLU . 1.2 m-85 -125.42 173.03 9.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.946 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 -63.23 -45.81 89.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -134.6 168.72 18.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -44.56 -39.5 4.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 46' ' ' GLN . 77.4 p -65.3 88.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.123 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.47 82.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 44' ' ' THR . 37.4 mt-30 -124.04 -47.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.61 73.01 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.522 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . 7.3 pt-20 -55.01 114.66 1.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -68.8 -48.12 64.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -166.32 175.95 7.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 37.9 ttp180 -144.82 122.83 12.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.4 m -119.75 126.07 74.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.9 t -57.39 140.97 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.454 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 17.1 mm -109.79 -39.68 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -58.14 122.46 13.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 37.51 41.05 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -117.6 -37.49 3.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.4 t -67.17 122.6 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.146 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.3 ttt85 -85.41 -35.65 21.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -171.5 160.86 6.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.8 mt -141.38 127.22 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.472 ' CE ' ' HB3' ' A' ' 66' ' ' GLU . 2.9 mmmm -110.39 162.65 14.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 51.1 t -149.23 149.57 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.73 -133.95 52.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 67' ' ' CYS . 44.6 tt0 -47.99 -50.07 28.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.802 0.334 . . . . 0.0 110.941 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.472 ' HB3' ' CE ' ' A' ' 62' ' ' LYS . 19.0 mt-10 -39.76 -25.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.842 ' SG ' HD23 ' A' ' 81' ' ' LEU . 31.6 p . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 121.609 0.587 . . . . 0.0 112.321 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.512 ' HB3' ' CG ' ' A' ' 24' ' ' TRP . 54.1 Cg_endo -69.74 146.5 60.48 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.374 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -40.71 127.57 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.27 -63.11 0.54 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.435 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -55.98 174.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.782 0.325 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 74.8 m -110.38 174.7 5.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.7 mtm-85 -77.56 -33.4 54.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.02 -9.32 37.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -83.14 -20.77 60.14 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.506 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.842 HD23 ' SG ' ' A' ' 67' ' ' CYS . 1.8 mp -50.98 145.71 7.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.93 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 tp -161.71 110.39 1.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.1 m -112.26 144.37 41.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 46.5 t -124.39 136.35 60.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.165 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -102.24 136.06 42.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 70.4 mt -104.86 141.78 35.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -62.38 -31.0 71.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -55.85 -46.34 78.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 134.89 54.34 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.499 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 51.0 m -161.78 165.3 28.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.892 0.377 . . . . 0.0 110.799 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -123.99 158.45 32.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.849 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.0 mt -125.54 101.59 6.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -81.12 117.58 21.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.82 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.448 ' CD2' ' HB2' ' A' ' 16' ' ' ARG . 63.3 mt -137.07 163.61 30.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 37.4 t -148.05 126.01 12.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.812 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.75 173.14 7.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 98' ' ' THR . 17.6 pt-20 -76.24 -46.82 26.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.443 ' N ' ' HG3' ' A' ' 97' ' ' GLU . 82.5 p -124.8 165.04 18.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -69.11 -12.06 61.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -75.9 -54.03 7.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.99 -37.92 77.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.47 -51.43 69.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 80.3 mt -59.04 -46.35 91.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.1 -44.4 52.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.466 ' NE1' HD11 ' A' ' 14' ' ' LEU . 14.8 m95 -68.31 -44.19 75.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.959 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.5 tttm -57.14 -42.26 80.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 95.0 m -74.44 -45.99 42.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.85 -30.19 70.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.404 HD22 HD12 ' A' ' 54' ' ' ILE . 61.1 mt -85.05 -55.96 3.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 10.5 mmt -50.92 -33.21 23.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -73.02 -64.17 1.02 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.15 -33.26 11.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.077 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -67.91 -35.62 78.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 92.2 p -117.91 37.47 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 7.0 m -152.58 105.01 2.72 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.602 0.715 . . . . 0.0 111.155 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.168 0 C-N-CA 122.709 2.273 . . . . 0.0 112.344 179.951 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.473 HD23 ' N ' ' A' ' 9' ' ' VAL . 3.2 tt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.87 0.367 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.473 ' N ' HD23 ' A' ' 8' ' ' LEU . 89.6 t -85.23 -56.83 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.2 ttm-85 -165.41 148.19 7.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.553 ' HA3' ' CZ2' ' A' ' 28' ' ' TRP . . . -143.62 137.31 7.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.484 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.26 149.02 17.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.495 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 49.0 m95 -68.87 142.57 54.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.814 0.34 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.742 HD11 ' NE1' ' A' ' 105' ' ' TRP . 33.6 mt -151.29 139.51 20.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.539 ' CH2' ' CD ' ' A' ' 26' ' ' ARG . 99.1 m95 -74.83 123.34 24.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.9 ttp85 -119.1 139.3 52.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.425 ' NE2' ' CZ2' ' A' ' 24' ' ' TRP . 17.5 mt-30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.806 0.336 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.425 ' CZ2' ' NE2' ' A' ' 17' ' ' GLN . 98.6 m95 -74.92 131.78 40.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -125.42 150.28 47.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.539 ' CD ' ' CH2' ' A' ' 15' ' ' TRP . 36.4 mtm180 -92.28 119.57 31.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -139.46 169.91 16.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.553 ' CZ2' ' HA3' ' A' ' 11' ' ' GLY . 13.2 t-105 -113.74 117.54 31.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -107.3 130.67 54.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.47 136.42 36.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.071 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 30.3 tp -95.11 146.7 24.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -112.27 163.92 13.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mt -71.82 -20.96 61.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -80.22 11.28 3.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.41 55.57 22.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.9 p -141.2 136.65 31.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.841 0.353 . . . . 0.0 111.152 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.541 ' HB2' HD11 ' A' ' 54' ' ' ILE . 8.5 tp -107.16 107.6 18.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.83 141.46 16.0 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.505 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -123.37 141.15 52.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.925 0.393 . . . . 0.0 110.911 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.48 ' N ' ' CD1' ' A' ' 40' ' ' TYR . 1.4 m-85 -124.06 159.6 29.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -56.99 -45.38 83.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -104.39 163.07 12.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -50.0 -38.21 36.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.93 -178.89 6.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.161 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -106.65 95.93 6.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -125.39 -46.02 1.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.82 74.24 0.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -40.36 132.37 2.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -103.37 -54.85 2.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -164.58 175.16 10.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.7 ttm105 -154.87 121.3 5.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.7 m -113.79 128.65 70.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.174 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.7 t -57.03 137.3 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.541 HD11 ' HB2' ' A' ' 37' ' ' LEU . 23.1 mm -107.38 -38.94 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 56' ' ' PHE . 8.6 t-80 -46.84 116.8 1.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 55' ' ' HIS . 86.7 m-85 36.66 41.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -126.81 16.57 7.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 69.6 t -111.12 102.92 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -59.66 -60.52 3.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -161.63 144.78 12.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.496 HG12 HG13 ' A' ' 84' ' ' VAL . 86.0 mt -116.76 121.61 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.444 ' HB3' ' CB ' ' A' ' 66' ' ' GLU . 76.8 mttt -102.74 155.39 18.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.6 t -149.06 132.97 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.099 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.57 -125.05 9.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 66' ' ' GLU . 27.9 mt-30 -58.95 -47.24 85.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.725 0.297 . . . . 0.0 110.917 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.444 ' CB ' ' HB3' ' A' ' 62' ' ' LYS . 41.6 mt-10 -35.21 -45.14 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.9 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 121.599 0.583 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -163.69 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.335 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -77.01 130.82 37.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.839 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.28 -55.01 3.21 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.454 ' N ' ' CD ' ' A' ' 76' ' ' ARG . 5.5 mpt_? -60.56 175.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.809 0.338 . . . . 0.0 110.889 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 t -135.68 -178.31 5.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.1 mmm-85 -75.06 -1.0 20.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -102.07 15.76 28.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.805 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -124.97 -22.72 1.91 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.2 mp -46.39 153.39 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.825 0.345 . . . . 0.0 110.935 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.5 tp -164.15 112.64 1.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 88.5 m -117.64 137.58 52.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.496 HG13 HG12 ' A' ' 61' ' ' ILE . 47.2 t -116.99 149.87 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -120.04 130.08 54.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.8 mt -105.17 149.9 25.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 34.8 mtt180 -71.97 -26.97 62.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -60.79 -15.39 29.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.74 53.46 0.98 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.518 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 m -168.02 146.61 4.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.889 0.376 . . . . 0.0 110.853 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.4 mtm180 -115.2 170.69 8.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.803 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.0 mt -132.27 103.3 6.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -79.2 97.28 6.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.2 mt -114.57 164.84 13.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 8.8 t -147.72 121.57 9.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -88.0 175.88 7.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.457 ' HG2' ' N ' ' A' ' 98' ' ' THR . 0.8 OUTLIER -90.06 -31.79 17.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.457 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 77.1 p -137.42 160.34 39.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.147 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -62.37 -41.21 98.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.836 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -55.45 -53.45 56.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.67 -46.43 81.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.62 -57.39 10.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 46.7 mt -49.23 -45.63 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -47.97 -54.49 12.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.742 ' NE1' HD11 ' A' ' 14' ' ' LEU . 24.8 m95 -56.37 -45.69 80.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 66.5 tttt -53.02 -46.98 68.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 37.5 m -72.03 -39.0 69.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.165 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.66 -31.44 72.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 53.5 mt -88.62 -47.63 8.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 8.2 mmt -56.33 -38.6 71.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -66.03 -62.31 1.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.48 -42.25 64.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.107 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.02 -33.17 70.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.865 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 48.5 m -121.7 44.48 2.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 92.7 m -166.16 111.48 0.73 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.549 0.69 . . . . 0.0 111.143 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.147 0 C-N-CA 122.691 2.261 . . . . 0.0 112.352 179.935 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.442 HD23 ' N ' ' A' ' 9' ' ' VAL . 4.6 tt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.833 0.349 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.442 ' N ' HD23 ' A' ' 8' ' ' LEU . 87.5 t -97.57 -61.88 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.8 tpm_? -135.91 144.57 45.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -150.23 107.45 0.35 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.532 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -147.94 161.87 28.64 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.445 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 58.3 m95 -80.5 133.15 35.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.783 0.325 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.668 HD11 ' NE1' ' A' ' 105' ' ' TRP . 25.7 mt -140.72 139.34 34.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.554 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 94.3 m95 -76.02 119.13 19.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.465 ' HB2' HD23 ' A' ' 94' ' ' LEU . 24.8 ttp85 -110.36 149.18 30.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.911 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.816 0.341 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.521 ' CH2' ' SG ' ' A' ' 95' ' ' CYS . 99.8 m95 -78.71 147.67 33.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.423 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -154.39 143.31 21.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.554 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 37.0 mtt180 -75.45 122.98 24.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -134.66 155.29 50.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.431 ' CE3' ' HA ' ' A' ' 43' ' ' GLU . 37.2 t90 -106.74 106.13 16.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' A' ' 39' ' ' TYR . 33.6 m-85 -96.3 141.1 30.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.428 ' HB1' HD11 ' A' ' 8' ' ' LEU . . . -143.25 127.96 18.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.108 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.428 ' CD1' HG13 ' A' ' 54' ' ' ILE . 17.8 tp -91.73 138.48 31.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 62.3 m95 -105.21 164.23 11.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 mt -76.87 -33.23 57.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.2 p30 -55.78 -22.8 26.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.01 40.82 2.38 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.453 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.4 p -133.68 155.72 49.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.368 . . . . 0.0 111.111 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.553 HD22 HD11 ' A' ' 54' ' ' ILE . 12.7 tp -125.9 116.74 21.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.77 139.01 11.45 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.493 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.573 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 28.3 p90 -122.49 118.14 27.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.903 0.383 . . . . 0.0 110.871 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.515 ' CG ' ' HA ' ' A' ' 45' ' ' ALA . 5.7 m-85 -109.68 168.1 9.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -55.79 -54.87 39.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.806 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -124.61 177.23 6.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.431 ' HA ' ' CE3' ' A' ' 28' ' ' TRP . 1.2 pm0 -61.7 -21.68 64.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.2 p -59.03 -24.59 62.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.169 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.515 ' HA ' ' CG ' ' A' ' 40' ' ' TYR . . . 52.84 43.76 31.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.075 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -84.95 -53.14 5.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -90.78 104.71 17.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.48 ' HG3' ' CE2' ' A' ' 40' ' ' TYR . 10.7 tt0 -78.05 100.6 6.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -67.48 -49.92 61.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -169.56 172.12 7.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 51' ' ' ARG . 17.3 ttp-105 -146.76 125.07 12.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.851 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.48 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 27.3 m -117.16 126.03 74.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.5 t -59.84 139.66 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.082 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.553 HD11 HD22 ' A' ' 37' ' ' LEU . 22.4 mm -107.09 -41.23 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 56' ' ' PHE . 7.8 t60 -43.17 108.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 55' ' ' HIS . 64.9 m-85 36.84 47.99 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -124.92 11.34 8.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 70.5 t -101.18 134.85 40.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -98.39 -35.96 10.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -174.54 158.83 2.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.491 HD12 ' HG2' ' A' ' 110' ' ' MET . 97.1 mt -141.6 118.19 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -107.05 140.25 40.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.478 HG22 ' CD1' ' A' ' 82' ' ' LEU . 90.0 t -131.26 135.33 59.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.92 -133.89 43.56 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 66' ' ' GLU . 22.8 pt20 -42.9 -46.89 5.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.317 . . . . 0.0 110.857 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.423 ' N ' ' HG3' ' A' ' 65' ' ' GLN . 25.8 mt-10 -40.03 -50.58 2.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 36.1 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 -179.919 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.48 ' HB3' HD11 ' A' ' 81' ' ' LEU . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 121.552 0.563 . . . . 0.0 112.392 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.421 ' HB3' ' CG ' ' A' ' 24' ' ' TRP . 53.5 Cg_endo -69.76 165.88 29.48 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.361 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -57.1 133.34 54.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.75 -62.71 1.6 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.447 ' HD2' ' N ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -51.52 -174.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 110.849 -179.852 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.8 m -131.25 166.23 21.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -60.19 -47.58 85.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -57.56 -31.59 66.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -59.47 -34.13 79.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.56 HD12 ' SG ' ' A' ' 95' ' ' CYS . 4.3 mp -39.04 146.52 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.863 0.363 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.478 ' CD1' HG22 ' A' ' 63' ' ' VAL . 7.0 tp -162.67 110.97 1.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 98.8 m -116.09 132.61 56.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 48.0 t -109.61 139.9 30.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -112.25 137.88 49.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 88.0 mt -103.26 139.52 38.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -49.53 -29.73 7.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 89' ' ' GLY . 16.4 pt-20 -65.63 -46.12 80.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.443 ' N ' ' HG3' ' A' ' 88' ' ' GLU . . . 150.42 -52.17 0.52 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 75.4 p -56.85 143.21 38.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 110.854 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -114.44 177.36 4.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.6 mt -133.36 125.04 28.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -96.91 110.09 22.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.819 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.465 HD23 ' HB2' ' A' ' 16' ' ' ARG . 12.2 mt -133.93 160.65 37.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.56 ' SG ' HD12 ' A' ' 81' ' ' LEU . 22.1 m -138.03 148.58 45.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -118.63 166.15 13.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -67.29 -50.44 60.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 82.3 p -133.71 166.98 21.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -62.31 -40.01 94.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.04 -58.25 7.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.92 -40.91 85.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.66 -50.47 73.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 29.9 mt -54.3 -41.9 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.74 -44.13 58.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.668 ' NE1' HD11 ' A' ' 14' ' ' LEU . 27.4 m95 -64.7 -46.1 83.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.426 ' HG3' ' CG2' ' A' ' 61' ' ' ILE . 35.0 tttt -53.18 -43.48 67.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 90.6 m -74.04 -43.77 56.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.137 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.67 -32.29 71.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.11 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 65.9 mt -84.97 -50.73 7.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.491 ' HG2' HD12 ' A' ' 61' ' ' ILE . 8.5 mmt -54.94 -43.97 73.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -56.42 -64.14 0.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.12 -41.23 62.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.084 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -61.15 -34.69 75.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.5 p -117.39 35.11 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.427 ' HA ' ' HD2' ' A' ' 116' ' ' PRO . 54.3 m -151.22 104.95 2.96 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.537 0.684 . . . . 0.0 111.193 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 115' ' ' THR . 53.3 Cg_endo . . . . . 0 C--N 1.341 0.159 0 C-N-CA 122.686 2.258 . . . . 0.0 112.307 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.416 HD13 ' HB1' ' A' ' 30' ' ' ALA . 39.3 tp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.847 0.356 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.415 HG11 HD23 ' A' ' 31' ' ' LEU . 98.5 t -98.09 -57.85 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.5 ttt85 -166.9 148.67 6.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -125.71 -159.93 10.47 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.443 ' N ' ' CZ3' ' A' ' 28' ' ' TRP . . . 133.31 126.72 2.71 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.551 ' CH2' ' HA ' ' A' ' 42' ' ' ASP . 72.2 m95 -63.95 133.22 52.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.816 0.341 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.724 HD11 ' NE1' ' A' ' 105' ' ' TRP . 18.1 mt -136.93 141.96 42.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.563 ' CZ3' ' HG3' ' A' ' 26' ' ' ARG . 87.6 m95 -76.59 116.48 17.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.8 ttt85 -109.49 134.59 51.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.5 ttt-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.84 0.352 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -77.09 139.76 40.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.3 pttt -136.2 143.02 44.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.563 ' HG3' ' CZ3' ' A' ' 15' ' ' TRP . 1.7 mtp-105 -74.42 126.68 31.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -142.94 131.45 22.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.443 ' CZ3' ' N ' ' A' ' 12' ' ' GLY . 24.6 t-105 -90.99 104.52 17.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.537 ' CD2' ' HB3' ' A' ' 39' ' ' TYR . 26.3 m-85 -90.39 139.65 30.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.416 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -140.85 125.44 17.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.461 HD13 HG13 ' A' ' 54' ' ' ILE . 19.9 tp -91.79 134.35 34.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 76.2 m95 -102.35 153.23 20.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.481 ' N ' HD23 ' A' ' 33' ' ' LEU . 2.8 mt -62.08 -33.82 75.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -53.11 -22.08 5.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.86 38.7 3.32 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.455 ' O ' HD12 ' A' ' 31' ' ' LEU . 33.2 p -132.23 158.94 40.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 111.142 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.477 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 13.3 tp -127.1 118.31 24.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.91 137.33 9.54 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.482 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.537 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 34.2 p90 -120.86 117.15 26.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.897 0.38 . . . . 0.0 110.92 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.739 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 3.5 m-85 -98.76 173.66 6.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.538 ' CE1' ' OD2' ' A' ' 42' ' ' ASP . 0.5 OUTLIER -57.65 -40.78 80.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.551 ' HA ' ' CH2' ' A' ' 13' ' ' TRP . 21.1 p30 -144.11 178.5 7.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -44.7 -52.64 8.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.3 p -65.74 93.79 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.739 ' HB1' ' CE2' ' A' ' 40' ' ' TYR . . . -56.98 95.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -123.78 -43.69 2.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -101.2 84.42 2.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -58.38 93.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -66.51 -47.11 74.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -168.83 175.74 5.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 21.4 ttp180 -152.37 118.9 5.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.459 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 35.9 m -112.85 129.64 68.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 98.6 t -62.7 139.89 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.477 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 19.4 mm -107.35 -41.31 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.431 ' O ' ' C ' ' A' ' 56' ' ' PHE . 9.5 t60 -41.85 114.01 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 55' ' ' HIS . 63.6 m-85 35.69 43.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -121.64 15.64 11.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.8 t -106.96 119.61 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.8 ttt180 -85.47 -48.48 8.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -157.62 167.84 28.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.529 HD12 ' HG2' ' A' ' 110' ' ' MET . 98.2 mt -149.68 111.19 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -103.43 144.02 31.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.4 t -136.9 131.93 47.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.11 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.83 -122.32 11.69 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.479 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 66' ' ' GLU . 25.0 mt-30 -57.57 -49.68 75.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.746 0.308 . . . . 0.0 110.927 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 65' ' ' GLN . 29.8 mt-10 -34.29 -45.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.7 t . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.882 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 121.594 0.581 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 179.77 3.5 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.683 2.256 . . . . 0.0 112.329 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -70.15 134.2 47.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.56 -64.54 1.85 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.529 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -58.08 172.1 0.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.346 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.2 m -119.62 164.91 15.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -57.23 -48.59 78.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.3 -31.08 2.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.26 -36.12 92.99 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.0 mp -39.02 146.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.5 tp -163.13 110.37 1.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 85.0 m -118.06 137.5 52.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.505 HG21 ' CD1' ' A' ' 109' ' ' LEU . 58.6 t -116.52 133.11 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -99.28 137.32 37.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 89.5 mt -109.84 145.88 36.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 88' ' ' GLU . 14.1 mmm180 -57.8 -50.57 72.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 87' ' ' ARG . 9.5 pt-20 -36.79 -46.17 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 129.86 51.64 0.11 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.2 t -159.2 146.85 17.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.886 0.374 . . . . 0.0 110.795 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.3 ptt-85 -109.46 157.18 19.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.5 mt -117.42 106.0 12.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.416 ' O ' HD23 ' A' ' 94' ' ' LEU . 76.3 m80 -78.21 120.94 23.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.486 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 27.8 mt -147.04 160.14 42.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 37.6 t -148.18 124.95 11.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.05 178.6 5.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -75.72 -35.72 60.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 77.5 p -146.4 175.85 10.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 100' ' ' ASP . 23.2 ptt180 -67.94 -42.41 81.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.453 ' N ' ' HG3' ' A' ' 99' ' ' ARG . 0.3 OUTLIER -47.93 -59.34 3.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.13 -42.31 76.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.33 -50.19 74.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 74.9 mt -52.44 -46.69 47.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -47.12 -49.45 22.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.04 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.724 ' NE1' HD11 ' A' ' 14' ' ' LEU . 33.5 m95 -61.9 -46.54 88.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.6 tttm -51.23 -43.47 61.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.935 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 88.4 m -73.09 -41.06 64.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.15 -32.16 72.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.057 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.505 ' CD1' HG21 ' A' ' 84' ' ' VAL . 37.5 mt -85.71 -44.53 12.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.529 ' HG2' HD12 ' A' ' 61' ' ' ILE . 12.6 mmt -62.82 -37.34 86.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -64.61 -64.61 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.07 -36.95 31.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.01 -37.36 78.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 59.8 p -111.87 32.81 5.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.427 ' HA ' ' HD2' ' A' ' 116' ' ' PRO . 98.9 m -151.79 105.01 2.86 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.571 0.7 . . . . 0.0 111.124 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 115' ' ' THR . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.373 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.42 ' CD1' ' HB1' ' A' ' 30' ' ' ALA . 8.9 tp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.856 0.36 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.42 ' CB ' HD23 ' A' ' 31' ' ' LEU . 91.6 t -100.21 -59.25 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.687 ' NH1' ' HB1' ' A' ' 104' ' ' ALA . 40.2 ttt180 -151.31 160.88 43.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -149.06 150.86 23.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.65 126.43 0.86 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 79.1 m95 -53.67 132.91 41.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.82 0.343 . . . . 0.0 110.907 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.5 mt -133.1 154.3 50.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -93.24 116.96 29.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.418 ' HB2' ' CD2' ' A' ' 94' ' ' LEU . 37.7 ttp85 -111.38 134.33 53.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.907 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.803 0.335 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -64.08 143.56 57.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.44 153.12 46.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -81.03 133.91 35.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -153.58 141.29 20.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.455 ' CE3' ' HA ' ' A' ' 43' ' ' GLU . 49.3 t90 -96.48 101.69 13.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.414 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 44.7 m-85 -84.03 126.51 33.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.446 ' HB2' ' CZ3' ' A' ' 28' ' ' TRP . . . -127.89 125.14 39.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.106 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.42 HD23 ' CB ' ' A' ' 9' ' ' VAL . 25.0 tp -93.71 135.85 34.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -105.38 138.18 41.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.425 ' N ' HD23 ' A' ' 33' ' ' LEU . 3.0 mt -52.29 -24.61 7.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -61.68 -8.65 4.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.53 34.81 11.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.6 p -130.77 151.17 51.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.841 0.353 . . . . 0.0 111.173 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.626 ' HB2' HD11 ' A' ' 54' ' ' ILE . 10.2 tp -119.36 116.82 26.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.14 133.69 8.32 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.534 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -119.04 120.81 38.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.901 0.381 . . . . 0.0 110.933 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.424 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . 3.5 m-85 -109.44 171.06 7.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -55.91 -52.24 64.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -129.09 173.29 10.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.455 ' HA ' ' CE3' ' A' ' 28' ' ' TRP . 24.8 mt-10 -53.26 -42.26 66.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.4 p -44.71 -37.74 3.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.424 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . . . 62.91 48.9 3.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -85.33 -36.64 20.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -105.72 107.12 17.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -75.2 115.27 14.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -83.3 -59.58 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -159.56 169.37 23.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -141.98 119.56 11.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.439 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 27.1 m -112.84 131.69 63.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 66.9 t -65.22 137.51 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.626 HD11 ' HB2' ' A' ' 37' ' ' LEU . 29.7 mm -105.74 -41.55 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -54.93 120.13 6.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 38.32 47.56 1.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -124.73 -36.44 2.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.662 HG11 HD11 ' A' ' 61' ' ' ILE . 88.4 t -70.26 115.87 10.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -80.32 -46.55 15.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -154.96 163.76 39.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.662 HD11 HG11 ' A' ' 58' ' ' VAL . 97.0 mt -147.41 136.56 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.443 ' HB3' ' CB ' ' A' ' 66' ' ' GLU . 40.9 mttp -125.23 140.54 52.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.546 HG13 ' HB1' ' A' ' 102' ' ' ALA . 47.6 t -135.11 129.45 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.67 -130.33 20.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.476 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -44.98 -47.66 11.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.767 0.318 . . . . 0.0 110.934 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.443 ' CB ' ' HB3' ' A' ' 62' ' ' LYS . 22.0 mt-10 -40.09 -50.86 2.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 90.7 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.85 -179.932 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.479 ' HB3' HD11 ' A' ' 81' ' ' LEU . 54.6 Cg_endo . . . . . 0 C--O 1.231 0.135 0 CA-C-O 121.581 0.576 . . . . 0.0 112.35 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 170.1 17.41 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.698 2.265 . . . . 0.0 112.343 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -60.29 130.17 45.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.66 -57.42 1.34 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.506 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.456 ' HD2' ' N ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -51.11 -175.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 110.885 -179.894 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 62.5 m -125.29 169.45 12.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.1 mtt180 -72.29 -42.45 65.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.93 -33.21 72.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -55.7 -36.2 64.63 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.479 HD11 ' HB3' ' A' ' 72' ' ' PRO . 4.4 mp -38.79 142.84 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.823 0.344 . . . . 0.0 110.917 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.2 tp -152.39 116.07 4.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.2 m -118.12 123.17 44.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 57.7 t -106.35 142.55 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.134 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -112.92 130.23 56.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.5 mt -98.32 160.46 14.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -87.37 -18.36 30.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 89' ' ' GLY . 0.5 OUTLIER -68.99 -44.96 71.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.899 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.448 ' N ' ' OE1' ' A' ' 88' ' ' GLU . . . 139.01 57.48 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.442 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -172.66 163.55 5.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.884 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.9 ptp85 -128.01 161.19 29.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.9 mt -120.99 123.75 43.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -99.35 109.72 22.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.418 ' CD2' ' HB2' ' A' ' 16' ' ' ARG . 32.7 mt -132.16 172.02 12.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 52.8 t -150.31 126.25 10.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.622 ' HB3' ' HB2' ' A' ' 102' ' ' ALA . . . -95.83 153.65 17.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -47.4 -55.94 7.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 68.5 p -132.32 173.99 10.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 -61.08 -39.97 91.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -54.69 -55.43 29.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.59 -46.14 89.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.622 ' HB2' ' HB3' ' A' ' 96' ' ' ALA . . . -54.8 -53.19 58.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.085 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 19.1 mt -52.13 -45.86 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.158 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.687 ' HB1' ' NH1' ' A' ' 10' ' ' ARG . . . -46.2 -61.93 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 38.6 m95 -51.7 -43.49 62.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.442 ' HG3' ' CG2' ' A' ' 61' ' ' ILE . 15.5 tttt -54.28 -46.01 72.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 53.0 m -72.43 -42.18 65.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.145 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.64 -32.92 72.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 60.7 mt -81.07 -51.17 8.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.547 ' HG2' HD12 ' A' ' 61' ' ' ILE . 6.6 mmt -54.4 -43.56 71.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -61.39 -66.97 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.23 -36.74 21.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.154 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -62.51 -40.38 96.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 65.8 m -115.52 49.42 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.84 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 98.4 m -166.79 112.05 0.68 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.602 0.715 . . . . 0.0 111.15 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.199 0 C-N-CA 122.703 2.269 . . . . 0.0 112.346 179.945 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.571 ' CD1' ' HB1' ' A' ' 30' ' ' ALA . 24.4 tp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.883 0.373 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.3 t -93.91 -59.5 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.101 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -158.95 147.54 18.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -120.13 -158.62 10.6 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 126.69 160.93 10.74 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.519 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 33.3 m95 -97.49 141.38 30.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 mt -143.32 143.84 31.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.962 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.428 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 75.7 m95 -74.12 118.13 16.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.7 ttp85 -108.99 134.22 51.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.931 -179.932 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.0 mtt-85 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.779 0.324 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.459 ' CH2' ' SG ' ' A' ' 95' ' ' CYS . 92.3 m95 -74.77 147.41 41.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -142.47 138.23 30.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.428 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 21.2 mtp180 -71.07 137.76 49.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.822 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -149.63 176.27 10.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.519 ' CG ' ' HA ' ' A' ' 43' ' ' GLU . 73.0 t90 -127.18 106.2 9.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.966 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -94.31 149.2 21.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.571 ' HB1' ' CD1' ' A' ' 8' ' ' LEU . . . -150.29 127.63 11.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 51.8 tp -92.14 136.99 32.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -109.23 147.96 31.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.0 mt -58.36 -24.33 59.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -67.41 -5.98 17.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.27 47.6 8.12 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.454 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.4 p -139.99 130.97 26.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 111.139 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.633 ' HB2' HD11 ' A' ' 54' ' ' ILE . 10.9 tp -99.19 107.55 19.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.57 128.63 7.54 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.462 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.508 ' CZ ' ' HB2' ' A' ' 50' ' ' ASP . 11.2 p90 -114.9 142.1 47.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.884 0.373 . . . . 0.0 110.939 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.491 ' CD2' ' HA ' ' A' ' 48' ' ' GLU . 3.2 m-85 -124.6 155.7 38.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 62.1 m-70 -45.14 -59.68 2.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -100.83 -176.49 3.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.519 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 8.0 pt-20 -84.31 15.18 3.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.4 p -124.03 125.63 44.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.59 87.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -133.45 -46.49 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -113.74 86.04 2.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.491 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . 23.9 tt0 -56.85 123.21 14.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -94.61 -52.63 4.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.508 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 2.9 m-20 -165.83 171.31 12.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -155.35 128.41 8.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.7 m -120.72 141.81 39.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 92.9 t -66.32 137.35 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.633 HD11 ' HB2' ' A' ' 37' ' ' LEU . 27.7 mm -107.81 -42.51 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 56' ' ' PHE . 6.5 t-160 -51.66 121.63 6.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.877 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 55' ' ' HIS . 57.9 m-85 36.14 48.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -125.64 -29.93 3.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 40.8 t -69.41 112.81 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.4 ttt85 -80.2 -38.87 30.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -165.52 166.45 18.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.619 HD12 ' HG2' ' A' ' 110' ' ' MET . 79.9 mt -147.69 120.02 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -103.36 152.59 21.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.596 HG22 HD12 ' A' ' 82' ' ' LEU . 29.9 t -149.12 135.89 12.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.89 -144.65 40.27 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 66' ' ' GLU . 37.5 tp60 -42.32 -38.91 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.782 0.325 . . . . 0.0 110.918 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 65' ' ' GLN . 12.4 mt-10 -34.25 -36.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 65' ' ' GLN . 16.0 p . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.587 ' HB3' HD11 ' A' ' 81' ' ' LEU . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 121.543 0.559 . . . . 0.0 112.362 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.49 ' HG2' ' CG ' ' A' ' 76' ' ' ARG . 54.2 Cg_endo -69.72 153.72 68.77 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.707 2.272 . . . . 0.0 112.333 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -61.77 127.73 32.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.69 -48.28 1.03 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.526 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.49 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 7.5 mmt180 -68.92 -173.0 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.815 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.436 ' OG ' ' N ' ' A' ' 78' ' ' ARG . 1.5 t -118.6 174.78 6.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.436 ' N ' ' OG ' ' A' ' 77' ' ' SER . 38.8 mtm180 -85.24 -9.66 57.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -83.33 -14.15 53.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -87.06 -14.17 64.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.617 HD12 ' SG ' ' A' ' 95' ' ' CYS . 5.4 mp -55.91 124.97 19.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.837 0.351 . . . . 0.0 110.907 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.596 HD12 HG22 ' A' ' 63' ' ' VAL . 3.3 tp -137.87 122.25 18.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.9 m -120.72 134.52 55.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.104 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 48.1 t -118.53 138.61 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -107.76 134.66 50.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.3 mt -111.81 150.79 29.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.963 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -66.05 -32.9 74.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -58.11 -16.49 13.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.91 67.54 1.05 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.4 t -174.64 127.4 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.827 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.0 ptt-85 -93.63 153.01 18.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 mt -110.86 127.66 55.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -97.41 99.71 11.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.7 mt -128.43 161.17 30.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.963 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.617 ' SG ' HD12 ' A' ' 81' ' ' LEU . 11.8 m -144.57 145.18 31.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -113.32 171.85 7.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -72.03 -49.56 35.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 80.9 p -130.77 167.96 18.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.154 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -56.28 -43.15 78.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.59 -63.67 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.19 -48.68 34.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.03 -50.37 66.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 66.9 mt -62.45 -47.18 94.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -46.83 -49.27 20.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -61.37 -45.28 95.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -52.6 -39.23 61.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 67.6 m -72.89 -37.99 67.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.85 -27.08 63.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 20.6 mt -88.63 -45.42 9.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.619 ' HG2' HD12 ' A' ' 61' ' ' ILE . 11.0 mmt -63.14 -30.34 71.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -75.47 -64.17 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -51.72 -31.74 27.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.089 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.71 -40.24 80.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.2 t -115.13 44.72 1.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 98.4 m -163.36 106.6 0.98 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.584 0.707 . . . . 0.0 111.118 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.74 2.293 . . . . 0.0 112.349 179.918 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.1 tp . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.811 0.339 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 82.6 t -110.64 -58.1 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.5 ttt85 -152.95 161.55 42.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -150.35 -175.81 22.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.452 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 144.32 176.51 18.4 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -101.6 135.33 43.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.769 0.318 . . . . 0.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.561 HD11 ' NE1' ' A' ' 105' ' ' TRP . 9.9 mt -139.22 148.32 42.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.558 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 86.3 m95 -82.22 120.29 25.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.0 ttp85 -108.47 140.18 42.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.927 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.8 mtp180 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.8 0.333 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.446 ' CE2' ' HD3' ' A' ' 73' ' ' PRO . 95.8 m95 -77.59 145.49 36.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.31 140.22 30.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.558 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 37.8 mtm180 -74.36 132.44 42.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -149.43 150.75 32.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 24.2 t-105 -100.72 119.38 38.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -105.35 149.02 26.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.94 126.65 9.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.593 HD12 ' O ' ' A' ' 36' ' ' THR . 41.5 tp -92.8 133.73 35.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -102.35 146.31 28.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.955 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.0 mt -54.72 -29.46 53.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.37 -15.49 10.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.79 38.13 5.89 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.442 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.593 ' O ' HD12 ' A' ' 31' ' ' LEU . 7.2 p -131.69 161.6 32.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 111.125 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.459 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 13.4 tp -123.15 111.33 16.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.08 116.34 2.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -105.05 136.58 44.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.846 0.355 . . . . 0.0 110.91 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.534 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 1.0 OUTLIER -116.64 175.62 5.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.21 -49.42 69.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -146.74 -175.45 4.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -41.03 -39.64 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.9 p -68.63 102.45 1.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.534 ' HB1' ' CE2' ' A' ' 40' ' ' TYR . . . -78.48 49.6 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -106.28 -25.98 11.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 48' ' ' GLU . 9.0 m-20 -101.3 46.05 0.95 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 47' ' ' ASP . 40.0 tt0 -34.44 113.5 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.8 -54.08 6.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -165.63 -179.44 5.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -156.08 128.54 7.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.41 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 29.6 m -126.08 130.27 72.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.417 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 60.9 t -58.02 137.47 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.459 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 14.8 mm -107.88 -42.62 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 56' ' ' PHE . 6.5 t-160 -50.93 122.74 7.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' HIS . 86.5 m-85 37.18 35.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 53' ' ' VAL . 11.4 t30 -111.61 -31.33 7.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.619 HG11 HD11 ' A' ' 61' ' ' ILE . 89.3 t -68.42 107.71 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.9 ttt-85 -79.72 -39.82 30.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -158.21 167.43 29.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.619 HD11 HG11 ' A' ' 58' ' ' VAL . 59.6 mt -150.86 115.66 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -103.38 139.97 38.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.461 HG22 HD12 ' A' ' 82' ' ' LEU . 54.3 t -139.92 130.68 31.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.87 -136.82 33.39 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -40.12 -40.78 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.759 0.314 . . . . 0.0 110.9 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -38.68 -54.13 1.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.931 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 N--CA 1.465 -0.181 0 CA-C-O 121.589 0.579 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.457 ' HG2' ' CG ' ' A' ' 76' ' ' ARG . 54.1 Cg_endo -69.67 144.63 55.14 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.698 2.265 . . . . 0.0 112.364 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -54.33 136.08 43.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.72 -58.51 1.85 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.478 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.457 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 3.9 mmp_? -55.03 -173.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 110.857 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 p -125.02 167.41 14.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -75.83 -14.71 60.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.841 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.38 10.24 5.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -107.54 -25.32 6.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.3 mp -42.77 131.51 4.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.363 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.461 HD12 HG22 ' A' ' 63' ' ' VAL . 5.1 tp -152.84 121.91 6.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 98.3 m -125.91 135.18 51.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 90.2 t -114.48 127.92 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -94.3 128.33 40.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.3 mt -104.23 149.01 25.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 88' ' ' GLU . 27.5 mtt180 -64.56 -48.04 76.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 89' ' ' GLY . 11.7 pt-20 -38.08 -42.9 0.69 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.426 ' N ' ' HG3' ' A' ' 88' ' ' GLU . . . 124.12 53.38 0.19 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.469 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.5 m -162.92 127.05 2.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 0.0 110.857 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.3 ptt-85 -89.93 152.24 21.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.6 mt -115.56 102.08 9.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -78.44 105.01 9.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 58.5 mt -127.59 167.88 15.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 27.2 t -151.7 139.02 19.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -103.79 175.4 5.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -79.77 -45.81 18.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 67.4 p -131.81 165.53 23.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -55.85 -43.89 77.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.87 -65.17 0.61 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -48.73 -50.79 32.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.3 -57.31 9.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.096 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 20.0 mt -54.76 -46.48 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.177 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -46.69 -53.78 10.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.057 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.561 ' NE1' HD11 ' A' ' 14' ' ' LEU . 32.8 m95 -58.78 -44.68 90.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -53.45 -50.09 66.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.907 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 31.9 m -66.58 -44.17 82.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.73 -28.55 69.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 40.1 mt -84.88 -52.17 6.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 14.3 mmt -53.13 -31.29 41.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -74.7 -70.06 0.43 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.26 -26.82 3.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -71.76 -40.58 69.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 50.6 m -120.16 44.7 2.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.423 ' HA ' ' HD2' ' A' ' 116' ' ' PRO . 17.1 m -151.93 104.99 2.83 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.612 0.72 . . . . 0.0 111.141 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 115' ' ' THR . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.212 0 C-N-CA 122.671 2.247 . . . . 0.0 112.316 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.506 HD11 ' HB1' ' A' ' 30' ' ' ALA . 12.5 tp . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.859 0.361 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.446 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 44.2 t -114.73 -57.44 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.2 ttt-85 -149.68 152.84 36.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.83 88.83 0.15 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.514 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -127.25 148.77 17.57 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 54.6 m95 -70.8 151.99 44.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.752 0.31 . . . . 0.0 110.952 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.651 HD11 ' NE1' ' A' ' 105' ' ' TRP . 70.8 mt -153.5 137.41 16.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.519 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 98.1 m95 -77.9 120.99 23.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.5 ttp85 -111.22 138.7 47.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.923 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.418 ' HG2' ' N ' ' A' ' 24' ' ' TRP . 35.7 ttt180 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.783 0.325 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.425 ' CE2' ' HD3' ' A' ' 73' ' ' PRO . 92.6 m95 -78.26 132.57 37.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -128.96 145.57 51.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.519 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 15.3 mtm105 -74.68 139.85 43.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -150.87 138.3 19.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 28.5 t90 -94.86 99.58 11.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.442 ' CD2' ' HB3' ' A' ' 39' ' ' TYR . 51.5 m-85 -90.19 134.16 34.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.506 ' HB1' HD11 ' A' ' 8' ' ' LEU . . . -135.86 130.13 33.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.13 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.7 tp -96.58 134.16 40.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -104.15 152.66 21.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mt -59.01 -32.75 69.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -56.7 -21.54 28.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.44 39.15 3.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.452 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.8 p -128.34 155.42 44.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.778 0.323 . . . . 0.0 111.169 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.482 HD22 HD11 ' A' ' 54' ' ' ILE . 10.3 tp -121.54 111.18 16.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.09 132.51 9.41 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 50' ' ' ASP . 20.5 p90 -117.29 130.17 56.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.888 0.375 . . . . 0.0 110.922 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.53 ' CD2' ' HA ' ' A' ' 45' ' ' ALA . 2.7 m-85 -115.76 177.08 4.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -70.17 -63.26 1.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 44' ' ' THR . 17.5 t70 -126.71 176.93 6.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.23 -28.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 42' ' ' ASP . 63.2 p -73.97 106.93 5.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.136 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.53 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . . . -85.62 47.15 1.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -103.44 -14.69 16.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -114.56 66.4 0.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -54.54 107.44 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -75.68 -43.14 48.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 4.5 t70 -169.33 172.11 7.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.84 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -154.52 118.43 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.429 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 27.4 m -109.45 166.02 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.435 HG12 ' HB2' ' A' ' 57' ' ' ASN . 94.3 t -90.67 136.7 23.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.482 HD11 HD22 ' A' ' 37' ' ' LEU . 15.0 mm -108.19 -38.96 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.147 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -57.97 119.37 6.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.443 ' CE1' ' HA ' ' A' ' 114' ' ' SER . 61.7 m-85 38.23 45.59 0.79 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.435 ' HB2' HG12 ' A' ' 53' ' ' VAL . 6.8 t30 -121.73 -32.12 3.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 87.7 t -72.26 123.04 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.132 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -85.52 -42.71 14.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -165.37 155.8 13.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 77.6 mt -137.69 134.52 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -120.59 161.6 21.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 80.7 t -145.01 134.57 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.91 -131.67 36.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 66' ' ' GLU . 13.6 pt20 -41.56 -54.0 3.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.747 0.308 . . . . 0.0 110.915 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.441 ' N ' ' HG3' ' A' ' 65' ' ' GLN . 4.4 mm-40 -38.92 -50.13 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.904 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.465 -0.159 0 CA-C-O 121.572 0.572 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.425 ' HD3' ' CE2' ' A' ' 24' ' ' TRP . 53.7 Cg_endo -69.78 155.26 66.33 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.637 2.225 . . . . 0.0 112.33 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -53.32 146.81 11.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.31 -48.65 4.09 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.449 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.453 ' HD2' ' N ' ' A' ' 76' ' ' ARG . 0.7 OUTLIER -71.32 -175.54 1.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.816 0.341 . . . . 0.0 110.908 -179.871 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.3 m -133.94 157.84 44.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -49.27 -51.62 32.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -44.27 -34.07 1.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -58.84 -37.88 91.35 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.488 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 80' ' ' GLY . 4.2 mp -35.08 143.65 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.784 0.326 . . . . 0.0 110.97 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.0 tp -163.03 111.25 1.27 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.0 m -118.24 145.34 45.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 97.7 t -124.57 129.01 73.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -93.45 143.12 26.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.419 HD22 HD22 ' A' ' 57' ' ' ASN . 57.5 mt -112.36 151.39 29.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.426 ' CD ' ' HA ' ' A' ' 57' ' ' ASN . 15.5 ptm180 -73.1 -27.69 61.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.15 -32.63 74.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 120.57 61.03 0.24 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.458 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.4 m -170.56 151.25 3.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.368 . . . . 0.0 110.856 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -116.22 153.19 32.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.2 mt -111.97 105.66 14.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -79.26 112.15 16.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.2 mt -137.93 167.61 21.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 32.6 t -150.27 136.56 18.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -105.82 155.37 19.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.053 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -55.93 -47.13 78.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 71.2 p -129.48 177.93 6.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.133 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -73.97 -26.12 60.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -67.12 -57.43 6.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.81 -35.22 66.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.66 -54.66 42.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 40.6 mt -53.21 -45.32 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -44.32 -50.66 8.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.651 ' NE1' HD11 ' A' ' 14' ' ' LEU . 47.3 m95 -64.99 -40.64 95.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.4 tttm -58.99 -46.37 88.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 87.3 m -72.35 -44.36 62.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.15 -28.37 69.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 41.9 mt -86.61 -55.94 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 7.2 mmt -48.26 -42.05 29.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -63.91 -65.94 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.5 -35.34 8.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.98 -37.73 88.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.443 ' HA ' ' CE1' ' A' ' 56' ' ' PHE . 1.3 t -118.33 37.71 3.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 36.5 m -153.92 105.03 2.47 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.546 0.689 . . . . 0.0 111.164 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--N 1.341 0.165 0 C-N-CA 122.717 2.278 . . . . 0.0 112.339 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.5 tp . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.872 0.367 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.514 HG11 HD23 ' A' ' 31' ' ' LEU . 46.8 t -127.55 -53.76 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.104 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.483 ' NH1' ' HB1' ' A' ' 104' ' ' ALA . 22.7 ttm180 -162.05 158.75 25.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -135.43 -139.03 3.96 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.09 174.72 24.42 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.456 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 47.0 m95 -109.71 144.04 38.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.804 0.335 . . . . 0.0 110.896 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.8 HD11 ' NE1' ' A' ' 105' ' ' TRP . 70.1 mt -143.65 139.69 29.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.548 ' CH2' ' HD2' ' A' ' 26' ' ' ARG . 94.4 m95 -77.86 124.07 27.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.418 ' NH2' ' HD3' ' A' ' 25' ' ' LYS . 30.2 ttp85 -118.72 140.32 50.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.911 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.818 0.342 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.475 ' CD1' ' HB3' ' A' ' 73' ' ' PRO . 70.8 m95 -52.77 151.54 4.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.418 ' HD3' ' NH2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -138.99 145.5 39.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.548 ' HD2' ' CH2' ' A' ' 15' ' ' TRP . 24.5 mtp85 -79.14 121.31 24.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -132.1 166.86 20.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.429 ' CH2' ' HB2' ' A' ' 30' ' ' ALA . 79.1 t90 -119.77 105.11 10.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.478 ' CD2' ' HB3' ' A' ' 39' ' ' TYR . 47.4 m-85 -90.78 146.55 23.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.429 ' HB2' ' CH2' ' A' ' 28' ' ' TRP . . . -146.47 129.77 16.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.054 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.514 HD23 HG11 ' A' ' 9' ' ' VAL . 25.3 tp -98.25 133.5 42.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.978 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -107.04 153.93 21.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.426 HD23 ' CG2' ' A' ' 9' ' ' VAL . 3.1 mt -59.75 -33.25 71.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -56.28 -15.65 4.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.46 39.16 6.03 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.468 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.6 p -127.54 149.87 49.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.802 0.334 . . . . 0.0 111.159 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.614 ' HB2' HD11 ' A' ' 54' ' ' ILE . 9.4 tp -118.21 113.17 21.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.04 139.03 14.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.471 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.478 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 11.8 p90 -121.56 115.38 22.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.881 0.372 . . . . 0.0 110.98 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.559 ' CD2' ' HA ' ' A' ' 45' ' ' ALA . 12.9 m-85 -101.48 164.84 11.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.498 ' CE1' ' OD1' ' A' ' 42' ' ' ASP . 0.5 OUTLIER -61.71 -54.68 39.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.498 ' OD1' ' CE1' ' A' ' 41' ' ' HIS . 97.0 m-20 -129.66 -179.26 5.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -47.87 -31.11 4.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.1 p -75.05 109.98 8.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.559 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . . . -81.34 47.83 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -104.25 -22.12 13.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 48' ' ' GLU . 1.1 m-20 -105.88 42.46 1.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 47' ' ' ASP . 9.6 tt0 -35.44 123.29 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -90.51 -43.95 9.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.441 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 4.2 m-20 -169.53 179.09 3.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.834 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -155.24 117.86 4.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 25.3 m -109.13 161.48 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 63.8 t -89.49 138.45 19.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.614 HD11 ' HB2' ' A' ' 37' ' ' LEU . 30.8 mm -107.57 -39.66 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -55.94 119.18 5.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 39.36 47.16 1.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -128.13 -31.51 2.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.503 HG11 HD11 ' A' ' 61' ' ' ILE . 71.9 t -69.18 100.4 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.8 ttt-85 -64.4 -48.61 74.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -154.71 169.7 23.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.809 HD12 ' HG2' ' A' ' 110' ' ' MET . 61.4 mt -145.54 125.72 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.2 mttm -111.55 135.26 52.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.819 HG13 ' HB1' ' A' ' 102' ' ' ALA . 62.3 t -137.83 131.04 42.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.149 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.3 -133.17 42.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.49 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.427 ' NE2' ' HG2' ' A' ' 66' ' ' GLU . 2.1 pp0? -39.82 -48.39 2.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.767 0.317 . . . . 0.0 110.938 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.427 ' HG2' ' NE2' ' A' ' 65' ' ' GLN . 4.0 mm-40 -37.73 -52.15 1.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 81.4 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.897 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.14 0 CA-C-O 121.554 0.564 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.475 ' HB3' ' CD1' ' A' ' 24' ' ' TRP . 53.7 Cg_endo -69.79 -168.61 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.634 2.223 . . . . 0.0 112.333 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -75.71 105.17 6.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 119.32 -53.61 0.67 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.533 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.464 ' HD2' ' N ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -51.05 -176.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.817 0.341 . . . . 0.0 110.915 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.5 m -142.22 158.62 43.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.829 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 39.9 mtm180 -64.17 -14.01 52.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.11 20.5 4.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -128.3 -32.37 0.63 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 80' ' ' GLY . 4.4 mp -34.38 149.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.813 0.34 . . . . 0.0 110.966 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.517 ' CD1' HG22 ' A' ' 63' ' ' VAL . 13.0 tp -161.44 112.23 1.7 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.9 m -119.63 135.78 54.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 94.7 t -114.37 130.57 68.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -97.66 146.34 25.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 26.1 mt -119.02 154.3 33.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -77.59 -36.2 52.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.36 -23.54 3.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 112.12 56.13 0.46 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.5 m -171.85 156.22 4.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 0.0 110.826 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.526 ' HG3' ' CE1' ' A' ' 93' ' ' HIS . 10.6 ptm180 -122.15 172.43 8.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.5 mt -132.54 106.56 7.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.526 ' CE1' ' HG3' ' A' ' 91' ' ' ARG . 29.9 m80 -81.05 109.73 15.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 93' ' ' HIS . 36.5 mt -130.13 170.24 14.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 40.3 t -149.56 138.33 21.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -107.65 160.3 15.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.084 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -71.3 -37.74 71.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 31.8 p -133.42 148.89 51.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -48.52 -40.09 25.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.56 -56.31 16.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -50.94 -44.06 60.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.819 ' HB1' HG13 ' A' ' 63' ' ' VAL . . . -62.96 -45.12 93.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.074 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 79.6 mt -61.31 -38.3 79.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.483 ' HB1' ' NH1' ' A' ' 10' ' ' ARG . . . -56.59 -40.99 76.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.104 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.8 ' NE1' HD11 ' A' ' 14' ' ' LEU . 49.1 m95 -68.73 -39.06 80.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.496 ' HD2' ' CG2' ' A' ' 61' ' ' ILE . 16.8 tptm -55.05 -40.3 70.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 94.2 m -83.27 -46.35 12.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.092 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.61 -26.76 67.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 42.9 mt -91.27 -50.77 5.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.809 ' HG2' HD12 ' A' ' 61' ' ' ILE . 5.5 mmt -57.23 -33.15 67.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -70.8 -66.52 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -48.18 -38.21 17.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -62.1 -30.82 71.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.3 m -123.71 43.24 3.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 81.5 m -161.05 105.06 1.25 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.573 0.701 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.164 0 C-N-CA 122.716 2.277 . . . . 0.0 112.343 179.952 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.0 tp . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.904 0.383 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.448 HG23 HD23 ' A' ' 33' ' ' LEU . 60.8 t -103.2 -57.53 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 47.5 ttt85 -140.8 155.13 46.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -149.45 82.47 0.18 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.454 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -123.52 159.99 18.1 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.421 ' CZ3' ' HB3' ' A' ' 26' ' ' ARG . 52.8 m95 -85.91 133.44 33.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.787 0.327 . . . . 0.0 110.939 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.405 HD11 ' CD1' ' A' ' 105' ' ' TRP . 21.5 mt -136.88 145.08 43.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.564 ' CZ3' ' HG3' ' A' ' 26' ' ' ARG . 99.0 m95 -82.09 124.02 29.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.5 ttp85 -110.9 153.17 25.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.954 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 mtp-105 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.789 0.328 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -76.39 161.43 28.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.404 ' C ' ' HD3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -157.72 159.69 37.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.564 ' HG3' ' CZ3' ' A' ' 15' ' ' TRP . 31.4 mtp180 -90.76 140.14 30.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.539 HD22 ' N ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -154.36 148.96 26.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.539 ' N ' HD22 ' A' ' 27' ' ' ASN . 28.3 t90 -97.84 106.04 18.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.941 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.578 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 38.3 m-85 -94.27 127.23 40.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.77 144.5 51.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.091 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.444 HD23 ' CB ' ' A' ' 9' ' ' VAL . 26.1 tp -109.49 136.62 48.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -107.46 146.15 32.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.448 HD23 HG23 ' A' ' 9' ' ' VAL . 3.2 mt -60.12 -29.66 68.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.61 -16.01 3.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.42 40.88 4.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.473 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.3 p -135.21 153.5 51.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 111.134 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.468 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . 12.2 tp -123.78 111.05 15.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.05 139.53 12.4 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.412 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 16.9 p90 -117.76 138.33 52.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.935 0.398 . . . . 0.0 110.899 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.436 ' O ' ' C ' ' A' ' 41' ' ' HIS . 7.0 m-85 -131.0 148.27 52.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 40' ' ' TYR . 62.8 m-70 -34.45 -66.03 0.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -123.1 179.71 4.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.471 ' HA ' ' CE3' ' A' ' 28' ' ' TRP . 15.1 pt-20 -45.47 -28.58 0.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.2 p -78.67 115.14 18.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.53 54.41 2.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.107 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -93.71 -36.45 12.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -106.7 76.59 1.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -59.93 111.84 1.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -80.73 -46.45 15.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -169.61 173.52 6.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 51' ' ' ARG . 17.2 ttp-105 -153.75 117.57 4.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.529 ' HB ' HD13 ' A' ' 86' ' ' LEU . 34.1 m -107.5 170.39 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 44.4 t -95.5 141.02 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.461 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 5.5 mm -110.32 -39.65 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.45 ' CD2' ' HB2' ' A' ' 56' ' ' PHE . 3.1 t60 -55.76 119.97 6.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.45 ' HB2' ' CD2' ' A' ' 55' ' ' HIS . 15.4 m-85 35.88 45.32 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.408 HD22 HD22 ' A' ' 86' ' ' LEU . 7.8 t30 -125.61 -12.64 6.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.7 t -85.65 96.83 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -64.85 -44.63 89.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -163.46 166.24 22.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.406 HD12 ' HG2' ' A' ' 110' ' ' MET . 51.8 mt -144.56 120.6 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -106.79 143.21 35.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 46.1 t -141.48 133.27 28.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.71 -138.6 37.97 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.521 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -38.71 -39.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.776 0.322 . . . . 0.0 110.95 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -40.4 -53.93 2.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.908 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 121.554 0.564 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -178.31 2.26 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.42 ' C ' ' CD ' ' A' ' 74' ' ' GLU . 6.2 tm-20 -74.75 131.14 40.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 76' ' ' ARG . . . 98.38 -61.37 0.89 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.522 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.465 ' HD2' ' N ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -51.36 -175.13 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 -179.873 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.9 m -133.02 157.0 46.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.5 mtt85 -59.48 -51.33 70.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -55.3 -13.98 1.61 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -78.29 -25.84 60.7 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.483 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.7 mp -49.23 125.87 11.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.922 0.391 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.0 tp -133.92 116.97 16.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 87.0 m -121.47 139.62 53.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 38.4 t -117.39 150.38 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.149 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -115.98 120.75 40.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.529 HD13 ' HB ' ' A' ' 52' ' ' VAL . 61.0 mt -103.57 139.71 38.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.951 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.432 ' NE ' ' O ' ' A' ' 56' ' ' PHE . 54.0 mtm180 -59.16 -48.93 79.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 87' ' ' ARG . 19.1 pt-20 -36.7 -34.16 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 87' ' ' ARG . . . 114.37 51.72 0.46 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.442 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.2 t -166.08 116.69 1.01 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.9 0.381 . . . . 0.0 110.831 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.574 ' HG3' ' CE1' ' A' ' 93' ' ' HIS . 0.6 OUTLIER -86.52 158.35 19.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.915 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.6 mt -113.21 122.13 46.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.574 ' CE1' ' HG3' ' A' ' 91' ' ' ARG . 70.7 m80 -97.32 112.11 24.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.578 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 18.1 mt -134.69 165.82 24.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.4 t -140.18 119.4 12.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -89.68 164.03 14.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.034 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -70.77 -37.12 73.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 21.2 p -148.19 165.77 29.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -59.08 -34.87 72.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -57.21 -53.71 55.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -61.76 -42.82 99.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.6 -55.12 37.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 22.0 mt -53.29 -43.75 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -49.09 -41.83 36.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.048 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.405 ' CD1' HD11 ' A' ' 14' ' ' LEU . 43.6 m95 -69.3 -43.49 73.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.938 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -57.0 -39.46 74.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 91.6 m -73.21 -46.95 47.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.87 -29.0 70.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 46.0 mt -86.12 -55.07 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.406 ' HG2' HD12 ' A' ' 61' ' ' ILE . 10.9 mmt -51.53 -20.97 2.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -83.44 -64.99 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.59 -29.11 2.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.059 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.39 -39.79 77.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.1 m -115.14 41.11 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 26.1 m -156.62 105.0 1.98 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.587 0.708 . . . . 0.0 111.161 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.247 . . . . 0.0 112.324 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.594 HD23 ' N ' ' A' ' 9' ' ' VAL . 2.3 tt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.826 0.346 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.594 ' N ' HD23 ' A' ' 8' ' ' LEU . 72.7 t -96.44 -53.54 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -170.38 155.39 5.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -141.8 -175.3 15.14 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.453 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 149.18 148.31 4.72 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -69.43 130.97 43.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.829 0.347 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.524 HD11 ' NE1' ' A' ' 105' ' ' TRP . 88.9 mt -134.59 142.34 46.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.422 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 95.5 m95 -79.71 115.14 19.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.6 ttt-85 -108.17 131.78 54.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.54 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 33.3 tt0 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.796 0.331 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.54 ' CZ3' ' HB2' ' A' ' 17' ' ' GLN . 95.5 m95 -79.33 153.91 29.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -148.57 141.96 25.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.422 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 44.6 mtm180 -75.58 120.61 21.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -145.82 129.01 16.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.453 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 14.9 t-105 -79.62 129.99 34.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.582 ' CD2' ' HB3' ' A' ' 39' ' ' TYR . 26.0 m-85 -110.59 145.57 37.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.29 127.05 14.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.642 HD12 ' O ' ' A' ' 36' ' ' THR . 66.7 tp -91.63 139.15 30.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -111.07 139.62 46.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.539 ' N ' HD23 ' A' ' 33' ' ' LEU . 2.4 mt -56.28 -23.74 38.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.925 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -58.19 -19.25 31.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.814 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.3 33.57 5.64 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.502 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.642 ' O ' HD12 ' A' ' 31' ' ' LEU . 4.2 p -129.77 170.98 13.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 111.163 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.639 ' HB2' HD11 ' A' ' 54' ' ' ILE . 12.3 tp -134.29 112.36 10.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.28 135.33 11.24 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.528 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.582 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 35.9 p90 -119.24 127.61 53.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.881 0.372 . . . . 0.0 110.927 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.558 ' CD2' ' HA ' ' A' ' 45' ' ' ALA . 1.9 m-85 -109.89 154.9 22.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.943 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -66.35 -53.53 35.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.402 ' CG ' ' OD2' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -77.88 175.2 10.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -65.86 -34.45 78.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.6 p -94.19 174.6 7.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.558 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . . . -94.23 81.15 4.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.105 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -125.13 -49.71 1.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.402 ' OD2' ' CG ' ' A' ' 42' ' ' ASP . 3.9 p30 -91.75 75.56 5.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -56.16 116.06 2.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -94.31 -48.62 6.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 2.5 t70 -171.33 172.11 5.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.415 ' HB2' ' NH1' ' A' ' 51' ' ' ARG . 17.0 ttm105 -152.39 122.09 6.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 31.9 m -110.07 144.44 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.0 t -66.54 145.14 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.639 HD11 ' HB2' ' A' ' 37' ' ' LEU . 28.7 mm -115.94 -39.22 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 56' ' ' PHE . 18.1 t60 -53.72 121.46 7.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 55' ' ' HIS . 4.8 m-85 35.4 43.06 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -121.76 -22.51 5.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.709 HG11 HD11 ' A' ' 61' ' ' ILE . 92.2 t -82.96 99.79 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.139 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.1 tpt85 -66.24 -50.18 64.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -149.58 171.76 16.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.83 HD12 ' HG2' ' A' ' 110' ' ' MET . 97.6 mt -149.34 116.19 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -103.95 144.3 31.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.487 HG22 ' CD1' ' A' ' 82' ' ' LEU . 44.5 t -141.48 129.94 22.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.155 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.21 -132.03 35.97 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.44 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 66' ' ' GLU . 35.9 mm-40 -40.69 -45.7 2.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.752 0.311 . . . . 0.0 110.903 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 65' ' ' GLN . 16.1 mt-10 -38.37 -46.89 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 85.4 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 -179.882 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.656 ' HB3' HD11 ' A' ' 81' ' ' LEU . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.196 0 CA-C-O 121.615 0.589 . . . . 0.0 112.343 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.472 ' HG2' ' CG ' ' A' ' 76' ' ' ARG . 53.7 Cg_endo -69.74 145.92 58.71 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.706 2.271 . . . . 0.0 112.333 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -55.07 135.72 48.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.86 -60.11 1.72 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.472 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 5.8 mmp_? -52.35 -172.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.807 0.337 . . . . 0.0 110.891 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.9 m -119.92 159.57 24.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.507 ' O ' HD13 ' A' ' 81' ' ' LEU . 15.3 mtm180 -61.04 -51.05 70.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -45.33 -47.38 13.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -39.2 -36.47 0.57 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.445 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.741 HD12 ' SG ' ' A' ' 95' ' ' CYS . 6.8 mp -38.19 138.42 0.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.838 0.352 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.487 ' CD1' HG22 ' A' ' 63' ' ' VAL . 6.8 tp -154.05 111.84 3.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.436 ' CG2' ' HB2' ' A' ' 91' ' ' ARG . 4.9 m -110.81 114.13 27.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 64.6 t -99.52 128.45 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -93.25 140.21 29.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 69.7 mt -116.5 150.07 38.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -58.82 -46.49 87.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.449 ' C ' ' OE1' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -45.9 -36.68 5.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 115.4 69.42 0.46 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.444 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 27.0 t -171.11 145.93 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.879 0.371 . . . . 0.0 110.866 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.436 ' HB2' ' CG2' ' A' ' 83' ' ' THR . 17.3 ptp180 -107.72 136.52 47.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.1 mt -95.51 107.78 19.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -79.18 104.55 9.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.6 mt -132.36 160.17 37.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.741 ' SG ' HD12 ' A' ' 81' ' ' LEU . 36.2 m -141.92 126.96 18.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.437 ' HB3' ' HB2' ' A' ' 102' ' ' ALA . . . -94.7 159.92 14.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -52.49 -59.49 4.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 58.9 p -128.8 174.06 9.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -59.62 -44.12 93.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -52.17 -48.61 64.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -63.22 -46.96 84.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.437 ' HB2' ' HB3' ' A' ' 96' ' ' ALA . . . -58.3 -44.68 88.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 56.3 mt -60.72 -39.18 80.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.73 -41.53 70.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.524 ' NE1' HD11 ' A' ' 14' ' ' LEU . 60.3 m95 -66.88 -42.03 86.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.495 ' HD2' ' CG2' ' A' ' 61' ' ' ILE . 17.7 tptm -50.36 -45.0 54.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.853 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 88.0 m -79.39 -44.09 22.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.178 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.79 -26.36 67.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 40.4 mt -91.29 -51.01 5.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.83 ' HG2' HD12 ' A' ' 61' ' ' ILE . 3.4 mmt -53.46 -38.72 63.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -68.33 -59.96 2.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.5 -34.9 26.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.41 ' O ' ' CD1' ' A' ' 56' ' ' PHE . 1.6 t30 -70.02 -33.84 72.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 80.0 p -124.07 41.14 3.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 87.1 m -157.52 105.01 1.82 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.618 0.723 . . . . 0.0 111.14 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.716 2.278 . . . . 0.0 112.332 179.951 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.637 HD23 ' N ' ' A' ' 9' ' ' VAL . 3.2 tt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.839 0.352 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.702 ' HB ' HD23 ' A' ' 31' ' ' LEU . 90.5 t -94.7 -60.25 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 11' ' ' GLY . 4.5 tpm_? -141.82 150.85 42.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.417 ' N ' ' HG3' ' A' ' 10' ' ' ARG . . . -154.3 134.97 4.51 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.453 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . -176.99 163.02 31.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.458 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -75.81 143.25 41.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.855 0.359 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.766 HD11 ' NE1' ' A' ' 105' ' ' TRP . 81.3 mt -153.81 137.03 15.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.524 ' CH2' ' HD2' ' A' ' 26' ' ' ARG . 98.7 m95 -74.74 130.94 40.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.1 ttp85 -114.62 139.52 49.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.893 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.825 0.345 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.523 ' CD1' ' HB3' ' A' ' 73' ' ' PRO . 98.3 m95 -72.74 138.18 46.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.26 135.71 47.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.524 ' HD2' ' CH2' ' A' ' 15' ' ' TRP . 20.1 mtt180 -72.18 131.23 42.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -148.93 145.96 27.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.453 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 14.8 t-105 -98.77 108.18 20.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.55 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 8.3 m-85 -93.39 145.62 24.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.86 133.34 24.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.702 HD23 ' HB ' ' A' ' 9' ' ' VAL . 20.2 tp -99.71 133.88 43.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 69.2 m95 -106.42 150.11 26.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 mt -56.64 -33.66 66.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 36' ' ' THR . 20.1 p30 -53.54 -20.46 5.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.439 ' N ' ' OD1' ' A' ' 34' ' ' ASP . . . 97.21 32.0 6.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.434 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.455 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 72.7 p -121.54 160.72 23.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 111.115 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.59 HD22 HD11 ' A' ' 54' ' ' ILE . 11.6 tp -124.96 107.3 10.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.91 134.32 10.45 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.426 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.443 ' CZ ' ' HB2' ' A' ' 50' ' ' ASP . 18.9 p90 -119.18 131.89 55.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.906 0.384 . . . . 0.0 110.908 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 4.0 m-85 -115.61 162.83 16.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.923 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.44 ' CD2' ' HB2' ' A' ' 47' ' ' ASP . 15.5 m170 -43.86 -47.49 8.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.2 OUTLIER -144.78 167.46 22.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.824 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 42' ' ' ASP . 35.1 tt0 -35.3 -42.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 82.7 p -68.21 88.79 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.134 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.58 88.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -127.73 -50.0 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.44 ' HB2' ' CD2' ' A' ' 41' ' ' HIS . 9.4 m-20 -90.47 79.01 6.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -53.01 106.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -85.15 -50.73 7.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.443 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 9.3 m-20 -170.68 170.57 6.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.3 ttm105 -154.82 123.59 6.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.485 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 27.2 m -109.2 172.02 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.3 t -96.91 136.63 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.59 HD11 HD22 ' A' ' 37' ' ' LEU . 21.6 mm -108.34 -41.82 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 56' ' ' PHE . 11.6 t60 -49.91 118.83 3.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 55' ' ' HIS . 15.4 m-85 37.67 42.2 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.438 HD22 HD22 ' A' ' 86' ' ' LEU . 7.0 t30 -122.66 -15.22 7.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.464 HG11 ' HE2' ' A' ' 110' ' ' MET . 71.6 t -82.44 94.29 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.151 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -64.63 -46.51 82.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -158.98 161.88 36.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.5 mt -141.33 121.83 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.142 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -105.33 130.42 53.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 88.2 t -132.72 136.27 56.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.077 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.03 -131.07 48.28 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.486 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 66' ' ' GLU . 11.9 tt0 -40.58 -48.03 2.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.778 0.323 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 65' ' ' GLN . 15.9 mt-10 -34.46 -39.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.535 ' CB ' HD23 ' A' ' 81' ' ' LEU . 19.8 p . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.149 0 CA-C-O 121.568 0.57 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.523 ' HB3' ' CD1' ' A' ' 24' ' ' TRP . 54.6 Cg_endo -69.72 -168.73 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.624 2.216 . . . . 0.0 112.378 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -79.64 109.4 14.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 117.59 -48.66 0.92 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -65.16 169.08 5.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.338 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 t -114.0 152.71 30.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 58.1 mtm180 -60.89 -9.53 4.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -84.58 -14.96 47.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -87.36 -17.07 59.47 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.535 HD23 ' CB ' ' A' ' 67' ' ' CYS . 1.2 mp -46.21 143.01 2.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.363 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.9 tp -156.44 118.1 3.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 12.0 m -120.06 135.52 54.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 95.7 t -118.57 129.68 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.174 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -96.93 137.22 36.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.438 HD22 HD22 ' A' ' 57' ' ' ASN . 52.3 mt -113.78 136.87 52.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -48.4 -37.97 18.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.402 ' HG2' ' CB ' ' A' ' 86' ' ' LEU . 9.5 pt-20 -45.87 -38.27 7.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 120.55 33.51 1.01 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.529 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.8 p -143.0 154.49 44.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -112.75 156.44 22.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.3 mt -114.81 106.87 14.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 61.6 m80 -78.42 103.36 8.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.55 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 44.5 mt -126.83 163.67 23.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 30.9 t -149.21 130.63 14.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.3 177.97 5.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -79.54 -44.96 20.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 41.3 p -133.42 168.53 18.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.181 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.4 ptt180 -64.4 -10.76 26.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -85.01 -55.21 4.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.16 -36.72 66.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.29 -62.45 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 58.2 mt -45.76 -44.37 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -46.87 -54.46 9.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.766 ' NE1' HD11 ' A' ' 14' ' ' LEU . 31.2 m95 -59.74 -44.47 93.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -53.49 -41.83 66.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 94.2 m -73.18 -43.51 61.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.59 -25.7 68.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 40.1 mt -88.69 -50.17 6.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.464 ' HE2' HG11 ' A' ' 58' ' ' VAL . 18.4 mmt -57.06 -36.25 70.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -67.98 -65.82 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.948 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -51.4 -41.69 60.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.096 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -54.47 -43.13 71.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.8 t -113.57 40.61 2.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 92.6 m -157.23 105.01 1.87 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.558 0.694 . . . . 0.0 111.16 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.649 2.233 . . . . 0.0 112.338 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.1 tp . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.855 0.359 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.589 HG22 ' CD2' ' A' ' 33' ' ' LEU . 41.4 t -95.74 -60.88 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.2 ttt85 -152.46 162.29 41.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -155.45 140.91 7.66 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.517 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.44 129.79 1.46 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.467 ' CH2' ' HA ' ' A' ' 42' ' ' ASP . 48.9 m95 -50.72 136.08 22.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.841 0.353 . . . . 0.0 110.907 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.2 mt -148.95 145.51 27.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.941 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.574 ' CH2' ' HD2' ' A' ' 26' ' ' ARG . 64.4 m95 -73.65 133.21 43.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.5 ttt-85 -120.46 133.79 55.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.523 ' HB2' ' CD2' ' A' ' 24' ' ' TRP . 12.4 tt0 . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.832 0.349 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.595 ' CZ3' ' HB2' ' A' ' 95' ' ' CYS . 78.5 m95 -82.48 149.41 27.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -149.6 138.12 20.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.574 ' HD2' ' CH2' ' A' ' 15' ' ' TRP . 31.3 mtp180 -68.73 128.31 36.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -150.35 148.88 29.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 -85.66 131.1 34.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.55 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 44.4 m-85 -122.78 135.0 54.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.87 139.39 32.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.069 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.7 tp -100.81 152.04 20.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 84.6 m95 -120.05 156.91 30.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.589 ' CD2' HG22 ' A' ' 9' ' ' VAL . 3.1 mt -76.33 -17.5 59.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -83.01 19.74 1.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.35 59.29 10.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.486 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.9 p -150.52 138.52 20.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.825 0.345 . . . . 0.0 111.12 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.643 ' HB2' HD11 ' A' ' 54' ' ' ILE . 19.0 tp -117.9 110.8 18.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.36 141.23 13.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.491 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 50' ' ' ASP . 15.1 p90 -120.75 155.39 34.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.886 0.374 . . . . 0.0 110.96 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 2.3 m-85 -134.73 163.69 29.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.545 ' CE1' ' OD2' ' A' ' 42' ' ' ASP . 2.0 p80 -53.14 -50.04 65.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.844 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.545 ' OD2' ' CE1' ' A' ' 41' ' ' HIS . 19.7 p30 -124.81 179.35 5.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -57.89 -38.72 76.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 46' ' ' GLN . 43.8 p -72.49 88.52 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.186 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.439 ' HB1' ' CE2' ' A' ' 40' ' ' TYR . . . -46.31 91.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.072 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' THR . 36.5 mm-40 -129.73 -46.39 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.963 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.538 ' HB3' ' CD2' ' A' ' 41' ' ' HIS . 9.9 t0 -94.33 80.51 3.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -50.77 92.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -67.73 -48.11 67.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 5.8 t0 -171.22 174.96 4.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -155.91 125.75 6.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.547 HG21 HD11 ' A' ' 92' ' ' LEU . 32.7 m -118.09 171.3 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.12 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.5 t -98.1 135.91 30.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.076 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.643 HD11 ' HB2' ' A' ' 37' ' ' LEU . 36.5 mm -103.77 -40.3 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -60.7 122.47 14.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 42.7 47.51 4.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.426 HD22 HD22 ' A' ' 86' ' ' LEU . 13.3 t30 -130.66 -35.01 1.5 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.8 t -63.31 106.45 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.2 tpt85 -75.97 -44.08 41.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.99 143.41 5.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.444 HD12 ' HG2' ' A' ' 110' ' ' MET . 69.0 mt -120.44 122.2 67.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.086 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -103.93 124.82 49.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.1 t -132.3 129.0 59.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . 59.37 -127.45 44.89 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.476 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 64' ' ' GLY . 58.9 tt0 -35.14 -51.87 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.757 0.313 . . . . 0.0 110.913 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 67' ' ' CYS . 3.6 mm-40 -37.75 -50.55 1.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 66' ' ' GLU . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.604 ' HB3' HD11 ' A' ' 81' ' ' LEU . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 121.631 0.596 . . . . 0.0 112.329 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -164.76 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.646 2.231 . . . . 0.0 112.353 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -70.15 127.58 33.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.9 -59.33 3.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.532 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.463 ' NE ' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -46.16 172.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.842 -179.863 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.2 p -131.6 162.67 29.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.9 mtm180 -66.5 -4.21 7.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.51 -21.36 21.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 96' ' ' ALA . . . -99.41 24.59 31.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.604 HD11 ' HB3' ' A' ' 72' ' ' PRO . 5.3 mp -91.93 119.73 31.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.86 0.362 . . . . 0.0 110.938 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.7 tp -129.53 110.87 12.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.0 m -117.63 135.08 54.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.8 t -118.91 132.71 68.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.086 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -97.41 137.9 35.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.426 HD22 HD22 ' A' ' 57' ' ' ASN . 14.0 mt -110.59 143.38 41.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -74.03 -41.72 61.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -41.1 -42.81 2.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 136.89 51.26 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.476 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.7 m -170.96 170.98 6.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 110.927 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -129.75 171.36 12.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.547 HD11 HG21 ' A' ' 52' ' ' VAL . 4.1 mt -131.99 104.51 6.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -86.67 118.51 26.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.55 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 67.5 mt -136.82 159.41 41.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.595 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 37.2 t -147.09 114.36 6.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 80' ' ' GLY . . . -84.39 178.95 7.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -78.09 -42.57 31.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 78.6 p -134.09 164.37 27.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.427 ' HB2' ' NH1' ' A' ' 99' ' ' ARG . 3.9 ptm85 -58.14 -44.76 88.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -48.0 -62.79 1.29 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.97 -45.77 51.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.24 -52.97 61.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.063 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 63.7 mt -55.12 -43.46 70.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.02 -52.12 36.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.063 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -54.44 -46.3 73.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.8 tttm -50.8 -40.47 55.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 33.9 m -70.52 -49.89 43.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.65 -28.85 70.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.076 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 13.1 mt -82.58 -52.46 6.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.444 ' HG2' HD12 ' A' ' 61' ' ' ILE . 12.1 mmt -55.5 -44.12 76.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -64.1 -62.42 1.64 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.81 -32.22 5.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.099 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.06 -37.12 83.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 57.8 m -127.13 62.13 1.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 99.5 m -162.98 105.22 1.02 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.592 0.711 . . . . 0.0 111.183 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.212 0 C-N-CA 122.651 2.234 . . . . 0.0 112.322 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.939 HD11 ' HB1' ' A' ' 30' ' ' ALA . 5.9 tp . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.862 0.363 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.42 HG21 HD23 ' A' ' 31' ' ' LEU . 60.1 t -84.03 -62.56 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.4 ttt85 -148.27 161.09 42.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -142.06 -179.77 19.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.454 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.37 -162.06 28.19 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -123.69 132.39 53.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.8 0.333 . . . . 0.0 110.973 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.0 mt -132.67 139.77 47.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.522 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 95.8 m95 -81.29 119.7 23.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.984 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.457 ' O ' ' CD ' ' A' ' 25' ' ' LYS . 29.9 ttp85 -109.72 129.44 55.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.46 ' NE2' ' NE1' ' A' ' 24' ' ' TRP . 13.3 tt0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.5 ttt180 . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.829 0.347 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.46 ' NE1' ' NE2' ' A' ' 17' ' ' GLN . 89.3 m95 -79.83 129.4 34.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.457 ' CD ' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -128.55 147.1 50.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.522 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 55.6 mtm180 -68.5 139.11 55.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -150.31 128.11 11.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 23.6 t-105 -86.01 99.21 11.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.7 ' CE2' ' CD2' ' A' ' 39' ' ' TYR . 47.6 m-85 -90.49 141.38 28.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.852 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.939 ' HB1' HD11 ' A' ' 8' ' ' LEU . . . -144.11 133.73 23.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.104 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.525 HD12 ' O ' ' A' ' 36' ' ' THR . 41.4 tp -100.05 137.37 38.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 73.5 m95 -105.97 151.21 24.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.7 mt -61.25 -19.99 62.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.97 -11.74 61.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.37 42.52 5.5 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.46 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.525 ' O ' HD12 ' A' ' 31' ' ' LEU . 12.3 p -133.04 151.9 52.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.839 0.352 . . . . 0.0 111.115 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.478 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 11.4 tp -122.95 107.31 11.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.8 136.59 10.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.51 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.7 ' CD2' ' CE2' ' A' ' 29' ' ' PHE . 13.8 p90 -117.89 131.12 56.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.948 0.404 . . . . 0.0 110.903 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.652 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 3.3 m-85 -113.13 173.46 6.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.894 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.499 ' CG ' ' N ' ' A' ' 42' ' ' ASP . 7.9 p80 -60.36 -51.01 71.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.845 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.499 ' N ' ' CG ' ' A' ' 41' ' ' HIS . 4.7 t70 -147.85 -177.55 5.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.821 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 42' ' ' ASP . 17.1 pt-20 -37.62 -39.49 0.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.9 p -73.25 108.3 6.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.164 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.652 ' HB1' ' CE2' ' A' ' 40' ' ' TYR . . . -85.37 51.72 2.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -101.19 -6.09 24.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -129.83 68.68 1.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -52.87 115.11 1.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -82.84 -43.9 16.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 17.2 m-20 -169.01 174.48 6.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -156.03 127.09 7.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.473 HG21 HD11 ' A' ' 92' ' ' LEU . 23.3 m -123.14 136.66 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.4 t -65.28 143.98 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.478 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 18.4 mm -113.41 -38.51 2.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.168 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -59.85 120.29 9.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 41.55 40.03 1.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -123.24 -25.65 4.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.458 HG11 HD11 ' A' ' 61' ' ' ILE . 98.4 t -77.62 101.52 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.439 ' NH1' ' CZ ' ' A' ' 87' ' ' ARG . 5.5 tpt180 -66.33 -49.29 67.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -158.06 167.97 28.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.666 HD12 ' HG2' ' A' ' 110' ' ' MET . 75.2 mt -143.07 124.15 11.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -108.94 147.67 31.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.599 HG22 ' CD1' ' A' ' 82' ' ' LEU . 40.0 t -142.65 143.83 25.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.17 -132.7 52.69 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.521 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 66' ' ' GLU . 1.7 mp0 -42.05 -53.21 4.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.733 0.302 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 67' ' ' CYS . 13.0 mt-10 -34.77 -36.96 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 66' ' ' GLU . 17.9 p . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 121.575 0.573 . . . . 0.0 112.319 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 163.05 39.75 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -64.12 141.9 58.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.35 -60.68 2.94 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.508 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -62.69 176.86 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.838 0.351 . . . . 0.0 110.832 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.5 m -118.53 173.31 6.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.6 mtt85 -69.11 -41.83 76.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.77 -12.23 4.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -81.44 -27.9 46.08 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.6 mp -51.51 137.87 23.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.817 0.341 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.599 ' CD1' HG22 ' A' ' 63' ' ' VAL . 6.4 tp -149.26 111.15 4.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.8 m -108.1 128.69 54.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 48.8 t -110.23 134.8 51.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -101.82 136.39 41.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 25.2 mt -113.55 153.64 28.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.439 ' CZ ' ' NH1' ' A' ' 59' ' ' ARG . 17.0 mtp85 -69.6 -40.14 76.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -51.57 -22.72 3.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.64 62.93 0.79 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.4 t -169.79 119.57 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 110.859 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -83.23 156.55 23.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.473 HD11 HG21 ' A' ' 52' ' ' VAL . 10.8 mt -117.46 111.4 19.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.41 ' O ' HD23 ' A' ' 94' ' ' LEU . 48.7 m80 -84.51 112.19 20.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 93' ' ' HIS . 17.7 mt -136.18 172.29 13.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 38.2 t -155.44 128.48 8.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.61 162.88 13.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.06 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -69.31 -37.13 77.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.2 p -141.21 154.25 45.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.194 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.33 -25.68 2.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.31 -63.2 1.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -48.93 -38.32 22.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.81 -57.16 13.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 73.5 mt -55.76 -39.77 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.147 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.16 -52.67 41.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -63.52 -39.62 94.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.603 ' HE3' HG22 ' A' ' 61' ' ' ILE . 11.6 ttmt -57.88 -42.87 85.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 93.1 m -75.37 -43.68 49.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.18 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.18 -29.32 70.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 58.2 mt -86.63 -49.0 7.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.666 ' HG2' HD12 ' A' ' 61' ' ' ILE . 8.5 mmt -54.84 -32.17 60.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.66 -62.88 1.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.87 -35.83 11.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.7 -37.88 89.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 35.1 p -116.84 40.96 2.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 94.0 m -158.06 104.99 1.73 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.566 0.698 . . . . 0.0 111.16 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.155 0 C-N-CA 122.644 2.229 . . . . 0.0 112.354 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.88 HD11 ' HB1' ' A' ' 30' ' ' ALA . 32.0 tp . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.836 0.35 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.519 ' HB ' HD23 ' A' ' 31' ' ' LEU . 61.0 t -94.61 -62.19 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.552 ' HB3' ' CH2' ' A' ' 105' ' ' TRP . 4.4 tpm_? -123.59 153.66 40.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -155.04 105.02 0.26 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -162.77 156.81 28.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 49.9 m95 -79.42 134.57 36.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.847 0.356 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.8 HD11 ' NE1' ' A' ' 105' ' ' TRP . 84.8 mt -136.9 142.2 42.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.564 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 87.5 m95 -74.87 119.75 19.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.3 ttt-85 -109.0 140.82 42.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.907 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.783 0.325 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.511 ' CD1' ' HB3' ' A' ' 73' ' ' PRO . 97.0 m95 -76.07 131.74 39.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.945 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.8 ptpt -139.21 141.12 37.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.564 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 15.7 mtp180 -65.77 132.27 48.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -143.15 155.92 44.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -107.37 104.4 13.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.523 ' CE2' ' HB3' ' A' ' 39' ' ' TYR . 37.1 m-85 -100.2 139.97 35.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.88 ' HB1' HD11 ' A' ' 8' ' ' LEU . . . -147.65 130.85 16.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.591 ' O ' HD12 ' A' ' 8' ' ' LEU . 18.3 tp -95.43 143.02 27.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 72.1 m95 -113.48 150.98 32.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mt -58.0 -34.48 70.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.53 -23.08 3.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.48 35.71 4.58 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.458 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.45 ' O ' HD12 ' A' ' 31' ' ' LEU . 41.5 p -129.17 157.36 42.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.839 0.352 . . . . 0.0 111.141 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.562 HD22 HD11 ' A' ' 54' ' ' ILE . 12.4 tp -123.75 117.23 24.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.45 138.73 13.1 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.523 ' HB3' ' CE2' ' A' ' 29' ' ' PHE . 46.6 p90 -123.68 121.34 35.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.894 0.378 . . . . 0.0 110.91 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.48 ' CD2' ' HA ' ' A' ' 48' ' ' GLU . 3.9 m-85 -105.53 173.7 6.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.877 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -80.9 -43.98 19.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.06 -179.75 3.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 44' ' ' THR . 16.5 tt0 -68.85 -42.04 77.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 43' ' ' GLU . 20.2 p -35.27 -41.19 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.461 ' HA ' ' CG ' ' A' ' 40' ' ' TYR . . . 65.06 38.61 6.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -110.74 -8.3 14.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 48' ' ' GLU . 3.4 t70 -109.65 44.6 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.48 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . 21.6 tt0 -36.95 109.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -75.01 -43.46 53.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -164.56 173.45 12.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -144.53 121.91 11.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 35.7 m -116.01 128.36 73.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.9 t -59.26 143.81 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.562 HD11 HD22 ' A' ' 37' ' ' LEU . 17.4 mm -113.02 -39.74 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.138 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 56' ' ' PHE . 11.4 t-160 -56.55 121.58 10.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.427 ' O ' ' NH2' ' A' ' 87' ' ' ARG . 7.0 m-85 35.81 38.53 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -118.08 -27.3 6.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.568 HG11 HD11 ' A' ' 61' ' ' ILE . 85.2 t -78.11 114.13 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.2 tpt85 -73.72 -50.15 22.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -152.77 174.85 13.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.568 HD11 HG11 ' A' ' 58' ' ' VAL . 70.5 mt -152.95 116.09 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -101.66 126.26 48.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 53.1 t -127.61 130.9 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . 56.19 -130.7 49.78 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 64' ' ' GLY . 0.4 OUTLIER -34.39 -50.78 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.729 0.3 . . . . 0.0 110.901 -179.895 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -41.17 -48.47 3.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.93 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.465 -0.148 0 CA-C-O 121.58 0.575 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.511 ' HB3' ' CD1' ' A' ' 24' ' ' TRP . 53.9 Cg_endo -69.75 142.89 49.22 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.614 2.209 . . . . 0.0 112.4 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -54.9 108.67 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 131.68 -56.1 0.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.435 ' HD2' ' N ' ' A' ' 76' ' ' ARG . 8.6 mpt_? -75.02 175.49 8.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.807 0.337 . . . . 0.0 110.873 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 t -102.13 178.57 4.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -83.55 -6.92 59.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -78.98 -6.18 55.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.13 -26.23 22.13 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.461 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.2 mp -42.72 130.67 4.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.858 0.361 . . . . 0.0 110.925 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.1 tp -151.82 110.34 3.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.4 m -116.37 128.74 55.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 81.5 t -110.46 130.79 63.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -98.93 145.1 27.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 45.7 mt -114.22 152.31 31.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.427 ' NH2' ' O ' ' A' ' 56' ' ' PHE . 5.4 ptp180 -76.37 -20.43 57.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -70.31 -44.55 68.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 132.52 57.54 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.495 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.1 t -165.83 132.59 2.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.862 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -101.34 146.02 28.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.4 mt -111.89 104.83 13.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -81.84 113.82 20.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.867 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 88.4 mt -131.78 176.41 8.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.461 ' N ' ' O ' ' A' ' 15' ' ' TRP . 36.5 t -161.89 139.36 8.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -107.8 179.93 4.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.467 ' HG3' HG23 ' A' ' 98' ' ' THR . 15.9 pt-20 -88.43 -44.15 10.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.467 HG23 ' HG3' ' A' ' 97' ' ' GLU . 69.7 p -120.99 173.99 6.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.163 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 21.5 ptt-85 -72.72 -43.06 63.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -52.89 -57.4 10.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -50.5 -49.68 54.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.91 -48.97 74.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.096 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 72.7 mt -61.45 -45.23 99.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -49.52 -51.12 38.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.8 ' NE1' HD11 ' A' ' 14' ' ' LEU . 39.0 m95 -59.44 -44.51 92.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 58.2 tttt -57.14 -39.91 76.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 97.0 m -73.17 -41.64 63.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.84 -26.3 66.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 36.4 mt -86.06 -54.6 4.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.515 ' HG2' HD12 ' A' ' 61' ' ' ILE . 13.2 mmt -51.13 -40.57 58.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.869 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -60.61 -68.56 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.61 -43.98 46.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.092 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.55 -34.19 72.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -120.93 47.77 1.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.811 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.4 ' HA ' ' HD2' ' A' ' 116' ' ' PRO . 99.0 m -160.51 107.82 1.34 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.605 0.717 . . . . 0.0 111.16 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 115' ' ' THR . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.366 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.483 HD12 ' CZ3' ' A' ' 32' ' ' TRP . 2.1 tt . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.824 0.345 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.409 ' N ' HD23 ' A' ' 8' ' ' LEU . 59.3 t -86.49 -60.86 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.149 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -163.28 165.05 24.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.561 ' HA3' ' CZ2' ' A' ' 28' ' ' TRP . . . -125.36 -159.88 10.49 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 127.66 123.74 2.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 62.4 m95 -65.41 147.72 52.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.816 0.341 . . . . 0.0 110.939 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.537 HD11 ' NE1' ' A' ' 105' ' ' TRP . 39.2 mt -147.6 137.24 22.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.449 ' CH2' ' HD2' ' A' ' 26' ' ' ARG . 93.0 m95 -78.38 119.99 22.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.971 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.7 ttp85 -108.13 137.31 46.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.578 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 26.8 tt0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.796 0.331 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.578 ' CZ3' ' HB2' ' A' ' 17' ' ' GLN . 99.2 m95 -82.9 132.77 35.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.36 144.09 50.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.449 ' HD2' ' CH2' ' A' ' 15' ' ' TRP . 27.5 mtt180 -79.29 133.39 36.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -148.62 142.98 26.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.561 ' CZ2' ' HA3' ' A' ' 11' ' ' GLY . 20.8 t-105 -95.58 98.2 10.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.542 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 37.8 m-85 -83.62 115.23 22.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.51 126.84 55.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 36' ' ' THR . 51.9 tp -93.61 136.12 34.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.483 ' CZ3' HD12 ' A' ' 8' ' ' LEU . 62.1 m95 -107.07 146.07 31.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.92 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.43 ' N ' HD23 ' A' ' 33' ' ' LEU . 3.0 mt -57.59 -27.56 62.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -59.11 -16.41 19.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.46 42.06 4.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.478 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.57 ' O ' HD12 ' A' ' 31' ' ' LEU . 25.1 p -135.45 161.13 36.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 0.0 111.14 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.557 HD22 HD11 ' A' ' 54' ' ' ILE . 10.5 tp -127.76 111.22 13.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.53 131.77 7.74 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -113.55 126.83 55.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.888 0.375 . . . . 0.0 110.902 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.453 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 4.9 m-85 -116.25 171.95 7.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -52.77 -62.68 1.49 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.64 -179.61 4.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -45.2 -42.82 9.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.4 p -74.61 106.7 6.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.453 ' HB1' ' CE2' ' A' ' 40' ' ' TYR . . . -65.05 91.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -113.01 -48.94 2.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -106.38 94.19 5.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.83 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -66.11 101.23 0.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -70.63 -46.01 64.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -172.7 172.33 4.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -152.65 122.02 6.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.529 HG21 HD11 ' A' ' 92' ' ' LEU . 26.8 m -113.95 140.11 36.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.8 t -69.5 135.31 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.557 HD11 HD22 ' A' ' 37' ' ' LEU . 13.3 mm -105.3 -43.18 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 56' ' ' PHE . 14.1 t-160 -50.35 121.83 6.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 55' ' ' HIS . 42.4 m-85 36.03 45.9 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -123.39 -24.28 4.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.703 HG11 HD11 ' A' ' 61' ' ' ILE . 60.5 t -80.01 104.06 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.2 tpp85 -72.38 -39.01 68.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.437 ' OD2' ' CG ' ' A' ' 85' ' ' ASN . 2.6 p-10 -162.82 163.46 26.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.803 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.703 HD11 HG11 ' A' ' 58' ' ' VAL . 59.2 mt -147.99 122.96 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.411 ' HB3' ' CB ' ' A' ' 66' ' ' GLU . 19.1 mttm -111.22 150.92 28.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.454 HG22 HD13 ' A' ' 82' ' ' LEU . 95.6 t -141.45 133.75 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.132 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.49 -140.57 35.49 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -41.91 -36.63 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.756 0.313 . . . . 0.0 110.917 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.411 ' CB ' ' HB3' ' A' ' 62' ' ' LYS . 37.5 mt-10 -52.01 -43.45 63.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 83.2 m . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.91 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.23 0.124 0 CA-C-O 121.595 0.581 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 151.56 68.91 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 2.263 . . . . 0.0 112.305 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -38.45 145.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.95 -57.08 4.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.46 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.462 ' HD3' ' N ' ' A' ' 76' ' ' ARG . 0.7 OUTLIER -59.23 167.92 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 -179.85 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 46.3 m -125.33 168.47 13.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.836 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -62.96 -35.57 80.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.806 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.51 -9.94 10.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -87.93 -26.46 29.07 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.544 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.8 mp -48.93 142.15 6.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.847 0.356 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.454 HD13 HG22 ' A' ' 63' ' ' VAL . 10.8 tp -151.94 111.04 3.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 68.7 m -111.38 133.96 53.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.577 HG13 HG12 ' A' ' 61' ' ' ILE . 58.7 t -119.38 139.81 45.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.454 ' ND2' ' HG2' ' A' ' 91' ' ' ARG . 1.5 m-80 -103.14 133.31 48.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 42.0 mt -110.93 142.72 42.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 17.6 mtp85 -51.83 -36.86 49.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -53.19 -30.26 36.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 128.12 -46.31 1.09 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 74.1 m -69.47 154.05 42.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.361 . . . . 0.0 110.879 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.454 ' HG2' ' ND2' ' A' ' 85' ' ' ASN . 62.4 mtt180 -118.02 143.55 46.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.529 HD11 HG21 ' A' ' 52' ' ' VAL . 9.9 mt -87.28 118.49 26.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -99.53 110.31 22.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.542 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 22.0 mt -132.68 174.09 10.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 15' ' ' TRP . 42.1 t -154.2 125.97 7.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.2 174.18 7.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -80.58 -33.64 35.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 81.4 p -131.33 -175.85 3.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -89.21 -14.83 35.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.808 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -80.22 -47.7 14.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.88 -38.45 82.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.73 -55.49 34.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 60.8 mt -53.43 -46.01 58.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.156 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -49.05 -51.18 32.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.107 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.537 ' NE1' HD11 ' A' ' 14' ' ' LEU . 35.9 m95 -60.92 -41.76 96.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -56.19 -42.88 77.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 87.1 m -71.49 -43.09 67.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.07 -29.82 71.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.076 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 40.9 mt -85.36 -52.41 5.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 5.8 mmt -49.74 -44.25 48.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -63.21 -63.32 1.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.17 -38.52 11.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.85 -41.75 98.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.3 t -116.28 41.84 2.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 52.0 m -157.09 104.99 1.9 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.602 0.715 . . . . 0.0 111.125 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.172 0 C-N-CA 122.7 2.266 . . . . 0.0 112.37 179.889 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m 47.95 40.37 12.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.855 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 t 60.97 38.03 17.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.67 -126.68 8.48 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.6 p -151.76 144.85 24.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 110.873 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -135.57 108.56 7.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.81 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.65 130.66 4.07 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.687 HD21 ' O ' ' A' ' 10' ' ' ARG . 3.1 tt -110.27 143.64 40.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 0.0 110.92 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.474 ' N ' HD23 ' A' ' 8' ' ' LEU . 65.7 t -91.92 -58.84 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.687 ' O ' HD21 ' A' ' 8' ' ' LEU . 36.1 ttm-85 -144.49 158.54 43.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -154.69 96.17 0.16 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.526 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -133.83 179.13 17.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.478 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 71.4 m95 -98.82 129.69 45.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.864 0.364 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.842 HD11 ' NE1' ' A' ' 105' ' ' TRP . 33.1 mt -131.64 153.86 49.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.557 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 89.8 m95 -91.03 120.86 32.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.1 ttp85 -111.61 136.77 50.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -89.3 129.31 35.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.6 t -83.88 169.81 14.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.9 t -101.84 -59.17 1.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 23.5 mt -63.34 -38.7 82.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.8 tp -93.09 -15.59 25.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.1 mtt85 43.8 52.79 6.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 55.1 ttt-85 -148.46 152.44 36.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.468 ' CH2' ' HB2' ' A' ' 95' ' ' CYS . 90.0 m95 -76.24 147.25 38.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.55 156.36 43.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.557 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 49.7 mtm180 -78.55 131.49 36.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -146.2 141.42 27.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.592 ' CH2' ' HB2' ' A' ' 30' ' ' ALA . 80.1 t90 -98.42 107.74 20.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.411 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 15.9 m-85 -95.29 133.11 39.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.858 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.592 ' HB2' ' CH2' ' A' ' 28' ' ' TRP . . . -133.22 124.76 27.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 36' ' ' THR . 21.5 tp -93.6 137.7 32.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.533 ' CZ3' HD12 ' A' ' 8' ' ' LEU . 64.8 m95 -105.17 148.95 26.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.9 mt -58.72 -36.52 74.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -53.82 -18.12 3.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.87 38.56 4.09 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.519 ' O ' HD12 ' A' ' 31' ' ' LEU . 24.4 p -126.98 159.21 34.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 111.137 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.534 ' HB2' HD11 ' A' ' 54' ' ' ILE . 10.3 tp -129.34 113.01 14.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.31 134.36 8.55 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -118.29 127.5 53.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.903 0.383 . . . . 0.0 110.881 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.548 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 1.6 m-85 -111.63 168.19 9.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.938 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -48.31 -55.92 9.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 43' ' ' GLU . 1.1 m-20 -135.66 171.82 13.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 42' ' ' ASP . 7.9 pt-20 -36.34 -42.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 67.1 p -73.44 107.33 5.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.548 ' HB1' ' CE2' ' A' ' 40' ' ' TYR . . . -70.39 84.21 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -114.35 -41.94 3.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -117.93 79.13 1.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.413 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . 5.0 pt-20 -54.82 126.22 23.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -85.28 -43.48 13.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -170.69 175.41 4.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -152.17 122.78 7.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.455 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 35.3 m -114.8 156.61 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.45 HG12 ' HB2' ' A' ' 57' ' ' ASN . 66.2 t -82.93 137.56 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.534 HD11 ' HB2' ' A' ' 37' ' ' LEU . 13.0 mm -108.43 -42.28 5.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 56' ' ' PHE . 25.7 t-80 -57.38 121.44 10.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 55' ' ' HIS . 24.6 m-85 37.05 47.4 0.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.45 ' HB2' HG12 ' A' ' 53' ' ' VAL . 4.4 t30 -128.27 -37.43 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.63 HG11 HD11 ' A' ' 61' ' ' ILE . 57.4 t -66.17 110.67 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.9 ttt85 -73.0 -41.78 63.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.445 ' C ' HG13 ' A' ' 61' ' ' ILE . 14.8 t70 -165.96 170.1 14.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.63 HD11 HG11 ' A' ' 58' ' ' VAL . 90.3 mt -151.63 126.1 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.078 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -106.08 154.24 20.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.601 HG13 ' HB1' ' A' ' 102' ' ' ALA . 99.1 t -149.15 133.88 9.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . 65.25 -143.93 46.86 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.513 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.453 ' O ' ' C ' ' A' ' 66' ' ' GLU . 48.4 tp60 -37.34 -42.8 0.51 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.737 0.303 . . . . 0.0 110.914 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' GLN . 24.9 mt-10 -33.98 -43.57 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 21.9 p -41.53 151.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -130.93 -41.47 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -124.36 40.5 3.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.2 t -137.13 144.4 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.461 ' CG ' ' HD2' ' A' ' 72' ' ' PRO . 24.3 tt0 -130.06 139.76 36.62 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.578 0.704 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.471 ' CA ' HD11 ' A' ' 81' ' ' LEU . 53.7 Cg_endo -69.71 141.46 45.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.639 2.226 . . . . 0.0 112.344 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -165.77 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.701 2.267 . . . . 0.0 112.367 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -70.72 132.44 45.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.31 -61.98 3.86 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -48.09 176.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.855 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.39 161.53 36.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -58.65 -11.39 3.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -85.45 24.37 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -137.72 -30.55 0.25 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.471 HD11 ' CA ' ' A' ' 72' ' ' PRO . 6.8 mp -36.74 151.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.767 0.317 . . . . 0.0 110.937 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.492 HD12 HG22 ' A' ' 63' ' ' VAL . 6.9 tt -168.85 125.99 0.99 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 36.1 m -129.59 140.37 51.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.578 HG13 HG12 ' A' ' 61' ' ' ILE . 61.3 t -115.7 139.88 40.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.148 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -108.25 139.93 42.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 37.6 mt -109.61 144.98 37.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -55.78 -32.41 63.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -61.81 -20.04 63.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 120.21 -49.84 0.86 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.473 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 73.2 m -61.53 152.38 30.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.348 . . . . 0.0 110.888 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -118.76 -178.65 3.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.2 mt -133.33 112.89 12.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 43.0 m80 -84.18 115.78 22.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.411 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 25.5 mt -136.36 172.62 12.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.468 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 25.2 t -160.06 120.66 3.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.31 141.43 28.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -49.15 -39.61 29.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 64.7 p -134.15 163.99 28.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -59.09 -41.42 88.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -50.72 -54.29 24.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.3 -49.2 72.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.601 ' HB1' HG13 ' A' ' 63' ' ' VAL . . . -52.46 -54.37 33.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 63.5 mt -55.6 -46.84 79.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.17 -44.52 61.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.842 ' NE1' HD11 ' A' ' 14' ' ' LEU . 20.8 m95 -70.24 -41.37 73.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.944 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 57.2 tttt -59.77 -45.29 92.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 86.4 m -72.96 -43.57 62.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.66 -30.44 70.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.054 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 58.9 mt -84.85 -58.89 2.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.581 ' HG2' HD12 ' A' ' 61' ' ' ILE . 8.0 mmt -43.45 -42.13 4.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -64.39 -62.1 1.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -48.98 -31.59 7.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -69.44 -38.93 78.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -122.65 43.07 3.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 98.3 m -159.32 104.98 1.52 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.542 0.686 . . . . 0.0 111.155 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 175.27 8.33 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.244 . . . . 0.0 112.371 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -131.04 143.22 48.54 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.557 0.694 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 119' ' ' ALA . 53.8 Cg_endo -69.76 2.81 3.2 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.674 2.249 . . . . 0.0 112.346 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 118' ' ' PRO . . . -34.14 110.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.071 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 176.09 -56.14 0.11 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.512 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -144.14 105.45 4.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.888 0.375 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 7.3 t -144.93 158.37 43.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.194 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 2.1 m -131.01 142.14 44.5 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.653 0.74 . . . . 0.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 125' ' ' SER . 53.6 Cg_endo -69.76 2.75 3.25 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.645 2.23 . . . . 0.0 112.368 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 124' ' ' PRO . 19.0 p -34.61 131.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -159.48 -157.97 8.87 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.471 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.69 161.86 44.29 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.65 2.233 . . . . 0.0 112.411 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 92.4 p -129.69 -55.05 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.863 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 36.8 m -77.31 90.34 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.82 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -113.96 142.83 45.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 110.841 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -157.3 166.91 31.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.38 44.68 97.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.464 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -71.44 130.37 41.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 110.849 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 8' ' ' LEU . 6.7 t -148.73 140.04 23.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.859 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -34.31 -32.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 6' ' ' SER . 13.5 tp -94.63 145.85 24.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 0.0 110.953 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.3 t -109.09 -58.9 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.7 ttm-85 -159.73 154.01 23.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.428 ' HA3' ' CZ2' ' A' ' 28' ' ' TRP . . . -120.28 -148.64 8.15 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 127.77 177.55 14.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 72.2 m95 -123.22 136.47 54.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.842 0.353 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.655 HD11 ' NE1' ' A' ' 105' ' ' TRP . 10.3 mt -143.47 155.56 44.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.553 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 98.5 m95 -91.23 118.85 30.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.454 ' HB2' ' CD2' ' A' ' 94' ' ' LEU . 17.4 ttt85 -108.68 143.27 37.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -81.76 157.26 24.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.0 m -92.41 179.61 5.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.5 m -83.9 -65.42 1.01 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.787 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.495 HG13 HD22 ' A' ' 21' ' ' LEU . 10.8 pt -98.78 -26.18 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.495 HD22 HG13 ' A' ' 20' ' ' ILE . 3.5 mm? -79.42 -13.18 59.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 21' ' ' LEU . 47.5 mtt180 34.58 37.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 21' ' ' LEU . 18.9 mtp85 -112.17 145.01 40.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.448 ' CD1' ' HB3' ' A' ' 73' ' ' PRO . 92.3 m95 -80.77 137.82 36.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 pttt -143.45 145.45 32.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.553 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 14.4 mtp85 -64.98 140.98 58.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -155.44 131.53 10.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.428 ' CZ2' ' HA3' ' A' ' 11' ' ' GLY . 8.8 t-105 -87.15 112.17 21.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.493 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 24.0 m-85 -98.05 148.72 23.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.918 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.32 131.81 12.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.061 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.6 tp -94.48 139.11 31.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -105.36 153.9 21.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mt -67.51 -25.46 65.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -63.51 -11.15 21.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.04 42.42 5.31 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.523 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.2 p -138.49 158.98 43.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 0.0 111.159 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.465 ' HB2' HD11 ' A' ' 54' ' ' ILE . 11.9 tp -125.97 120.25 29.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.949 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.84 139.4 11.7 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -113.88 122.82 48.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.855 0.359 . . . . 0.0 110.917 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.716 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 47.1 m-85 -113.76 170.95 7.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.95 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -67.56 -54.01 23.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -138.98 -177.24 4.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -42.79 -30.2 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.9 p -82.43 112.47 19.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.716 ' HB1' ' CE2' ' A' ' 40' ' ' TYR . . . -82.14 40.36 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -83.71 -38.07 21.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -90.59 42.16 1.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -37.55 114.76 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -86.33 -51.66 6.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -174.86 173.48 2.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -153.32 124.46 7.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.7 m -105.27 171.17 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.7 t -89.63 139.48 17.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.465 HD11 ' HB2' ' A' ' 37' ' ' LEU . 8.9 mm -108.72 -40.71 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 56' ' ' PHE . 32.5 t-80 -54.04 120.07 5.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 55' ' ' HIS . 43.5 m-85 36.82 42.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -121.51 -12.22 8.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.451 HG11 HD11 ' A' ' 61' ' ' ILE . 85.3 t -90.28 101.16 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.42 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 3.3 tpt180 -68.05 -44.66 75.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.42 ' CG ' ' O ' ' A' ' 59' ' ' ARG . 10.6 m-20 -161.44 159.68 28.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.451 HD11 HG11 ' A' ' 58' ' ' VAL . 26.2 mt -138.18 121.0 19.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.438 ' HB3' ' CB ' ' A' ' 66' ' ' GLU . 17.8 mtpp -107.01 140.5 39.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.464 HG22 ' CD1' ' A' ' 82' ' ' LEU . 86.0 t -138.22 140.67 39.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . 50.4 -126.88 25.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 64' ' ' GLY . 32.7 mt-30 -35.15 -55.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.775 0.321 . . . . 0.0 110.928 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.438 ' CB ' ' HB3' ' A' ' 62' ' ' LYS . 22.9 mt-10 -36.5 -50.52 0.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 59.6 m -74.81 119.62 19.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -120.19 -63.25 1.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -40.96 -47.98 3.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.8 p -79.21 145.68 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -123.51 140.78 34.8 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.636 0.731 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.43 ' HB3' ' CD1' ' A' ' 81' ' ' LEU . 53.8 Cg_endo -69.76 148.51 65.25 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.651 2.234 . . . . 0.0 112.377 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.463 ' HG2' ' CG ' ' A' ' 76' ' ' ARG . 53.8 Cg_endo -69.78 -172.94 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.68 2.253 . . . . 0.0 112.332 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.489 ' C ' ' CD ' ' A' ' 74' ' ' GLU . 2.8 tm-20 -76.87 122.84 25.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.6 -34.47 5.55 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.463 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 6.5 mpt_? -70.34 -177.39 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 0.0 110.847 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.4 m -128.79 153.33 47.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.3 mtm180 -61.5 -53.99 49.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -46.51 -20.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -74.32 -38.54 45.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.43 ' CD1' ' HB3' ' A' ' 72' ' ' PRO . 5.5 mp -37.82 142.51 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.464 ' CD1' HG22 ' A' ' 63' ' ' VAL . 6.5 tp -156.77 115.65 3.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.9 m -116.77 113.73 22.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.176 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 92' ' ' LEU . 97.3 t -98.66 123.9 51.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -86.58 139.25 31.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 78.0 mt -119.0 143.42 47.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -53.8 -44.82 70.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -43.88 -29.77 0.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 107.33 34.05 3.01 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.485 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 m -149.9 107.52 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.904 0.383 . . . . 0.0 110.852 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.16 175.85 3.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 84' ' ' VAL . 8.6 mt -127.62 108.16 10.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -77.96 123.66 27.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.493 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 39.2 mt -146.75 174.62 11.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 51.6 t -156.1 115.12 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.578 ' HB3' ' HB2' ' A' ' 102' ' ' ALA . . . -87.37 150.7 23.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -52.92 -60.19 3.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 44.4 p -113.59 177.75 4.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -71.83 -31.81 66.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -61.43 -63.48 1.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -46.56 -45.0 18.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.578 ' HB2' ' HB3' ' A' ' 96' ' ' ALA . . . -57.08 -51.71 68.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.062 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 52.6 mt -59.3 -41.35 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.124 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -47.54 -53.94 13.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.655 ' NE1' HD11 ' A' ' 14' ' ' LEU . 69.9 m95 -61.38 -44.36 97.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 28.9 tttm -53.45 -46.62 69.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 94.5 m -72.49 -43.91 63.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.147 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.54 -31.12 71.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 42.9 mt -84.85 -54.34 4.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.417 ' HG2' HD12 ' A' ' 61' ' ' ILE . 10.2 mmt -47.23 -36.49 9.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.64 -67.92 0.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -46.58 -38.91 10.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.084 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.83 -39.36 77.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.4 t -117.61 43.26 2.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 15.6 m -153.86 104.93 2.48 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.562 0.696 . . . . 0.0 111.191 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.405 ' O ' ' HD3' ' A' ' 118' ' ' PRO . 54.1 Cg_endo -69.68 174.48 9.38 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.337 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -102.2 96.77 7.43 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.576 0.703 . . . . 0.0 111.117 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 116' ' ' PRO . 53.8 Cg_endo -69.71 2.78 3.2 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.248 . . . . 0.0 112.36 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -166.24 131.05 2.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 144.6 -171.41 25.92 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -82.58 134.7 35.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 39.5 m -91.65 94.21 9.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 64.5 t -120.97 86.55 42.12 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.656 0.741 . . . . 0.0 111.118 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 175.93 7.43 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.722 2.282 . . . . 0.0 112.339 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 29.9 m -69.93 114.88 8.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -145.47 146.93 17.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -28.45 25.15 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.714 2.276 . . . . 0.0 112.351 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 45.4 m -90.53 48.44 1.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 130' ' ' GLY . 13.3 t -82.73 86.1 6.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 129' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.367 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.3 p -111.95 163.48 14.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.888 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.5 m -122.79 -54.31 1.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.818 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.89 -60.4 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.468 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.0 t -133.62 84.8 2.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 110.837 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -170.77 106.39 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.796 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.473 ' CA ' ' HG ' ' A' ' 33' ' ' LEU . . . -87.01 73.27 2.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.4 tp -100.12 139.2 36.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 0.0 110.93 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.405 HG23 HD23 ' A' ' 33' ' ' LEU . 77.2 t -101.68 -57.04 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.3 ttm-85 -153.84 160.15 42.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -131.18 -119.04 2.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 77.57 -178.97 51.38 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 39.2 m95 -113.45 154.04 27.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.739 0.304 . . . . 0.0 110.94 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.47 HD11 ' NE1' ' A' ' 105' ' ' TRP . 93.7 mt -149.99 145.07 26.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.948 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.542 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 95.9 m95 -81.43 123.64 28.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.3 ttt85 -109.5 141.13 42.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -115.41 157.14 24.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -105.0 -175.28 2.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 t -98.33 -46.86 5.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.3 pt -91.85 -38.11 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 22' ' ' ARG . 56.9 mt -80.41 -20.39 44.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 21' ' ' LEU . 0.7 OUTLIER 34.44 41.04 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.8 mtt-85 -119.52 139.82 51.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -79.7 145.21 33.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -146.81 137.57 23.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.542 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 21.5 mtp180 -70.14 129.79 40.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -143.16 150.45 39.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -101.91 101.88 12.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.641 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 33.2 m-85 -91.79 141.08 29.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.65 124.97 12.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.523 HD12 ' O ' ' A' ' 36' ' ' THR . 16.1 tp -91.91 135.9 33.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -106.11 146.48 30.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.473 ' HG ' ' CA ' ' A' ' 7' ' ' GLY . 3.1 mt -55.01 -35.08 64.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -50.3 -18.41 0.61 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.59 30.29 7.74 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.523 ' O ' HD12 ' A' ' 31' ' ' LEU . 16.3 p -124.34 163.17 22.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.827 0.346 . . . . 0.0 111.144 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.458 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 7.5 tp -130.29 117.9 20.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.37 139.92 13.03 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.443 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.431 ' CZ ' ' HB2' ' A' ' 50' ' ' ASP . 19.5 p90 -124.77 115.59 20.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.893 0.378 . . . . 0.0 110.959 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.514 ' CD2' ' HA ' ' A' ' 45' ' ' ALA . 5.7 m-85 -102.61 176.18 5.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.951 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -66.84 -47.68 71.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 43' ' ' GLU . 10.5 p-10 -151.85 -175.97 5.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 42' ' ' ASP . 8.5 tm-20 -34.99 -41.73 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.4 p -67.16 98.81 0.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.514 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . . . -82.4 44.67 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -99.65 -30.84 11.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 48' ' ' GLU . 4.3 t0 -87.85 43.72 1.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 47' ' ' ASP . 30.0 tt0 -35.81 102.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -75.42 -55.31 5.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.431 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 3.9 m-20 -159.2 176.18 12.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.417 ' CZ ' ' HB3' ' A' ' 51' ' ' ARG . 14.6 ttp-105 -154.92 118.98 4.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.1 m -107.31 159.94 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.0 t -86.35 139.58 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.458 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 19.8 mm -108.61 -39.2 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -60.39 120.82 10.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 38.32 47.03 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -126.05 -32.25 2.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 77.3 t -71.22 119.93 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -82.52 -42.68 18.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -162.84 168.81 20.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 77.4 mt -146.71 120.84 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -104.68 145.12 30.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.8 t -143.7 137.21 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.44 -132.56 32.69 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.481 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 67' ' ' CYS . 14.1 pt20 -50.22 -39.82 45.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.73 0.3 . . . . 0.0 110.881 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 65' ' ' GLN . 10.8 mt-10 -34.76 -33.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 65' ' ' GLN . 20.2 p -45.41 167.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.444 ' CG ' ' N ' ' A' ' 69' ' ' ASP . 6.6 pt20 -132.66 -53.78 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.933 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.444 ' N ' ' CG ' ' A' ' 68' ' ' GLN . 9.3 p30 -126.58 8.45 7.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.627 HG22 ' CD2' ' A' ' 93' ' ' HIS . 11.1 t -89.05 139.04 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -128.54 138.65 33.53 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.574 0.702 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 147.1 62.19 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.229 . . . . 0.0 112.357 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 74' ' ' GLU . 53.2 Cg_endo -69.78 151.83 69.04 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.641 2.227 . . . . 0.0 112.365 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 73' ' ' PRO . 4.2 tp10 -37.57 120.61 0.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.79 -58.18 0.63 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.467 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -52.72 173.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.353 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.2 t -115.91 165.12 13.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.2 mtp180 -74.76 -4.71 39.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.57 -22.58 28.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -82.25 -12.17 81.12 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.524 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.2 mp -54.17 147.39 13.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 tp -158.8 112.72 2.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 96.9 m -115.05 115.69 27.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.182 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 44.8 t -94.53 146.19 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.095 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -116.18 134.51 54.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 37.8 mt -107.13 156.43 18.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -78.69 -23.56 45.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -62.47 -52.62 62.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 143.09 52.83 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -174.64 139.22 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 0.0 110.859 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -103.5 171.44 7.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.0 mt -126.32 102.29 7.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.627 ' CD2' HG22 ' A' ' 70' ' ' VAL . 1.0 OUTLIER -79.38 98.29 6.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.804 179.899 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.641 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 10.0 mt -118.37 176.87 5.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 45.7 t -155.89 126.93 7.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.422 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -93.67 173.18 7.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -74.98 -46.71 33.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.6 p -132.2 143.26 49.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.435 ' NH1' ' OD1' ' A' ' 100' ' ' ASP . 0.0 OUTLIER -40.9 -27.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.435 ' OD1' ' NH1' ' A' ' 99' ' ' ARG . 2.7 m-20 -59.28 -66.0 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.422 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 2.6 t70 -50.05 -49.44 51.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.38 -46.39 37.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.162 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 60.6 mt -69.67 -37.46 74.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.56 -43.13 68.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.47 ' NE1' HD11 ' A' ' 14' ' ' LEU . 68.5 m95 -67.69 -44.0 78.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 37.2 tttt -51.1 -43.18 61.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 91.4 m -73.06 -43.61 61.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.04 -29.87 70.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.04 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 54.9 mt -85.49 -48.99 8.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 19.8 mmt -55.13 -42.01 72.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -65.89 -64.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.13 -37.94 23.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.103 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -64.19 -40.87 97.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.3 t -115.7 45.52 1.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 96.9 m -165.71 105.04 0.73 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.54 0.686 . . . . 0.0 111.147 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 -177.98 2.16 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.655 2.236 . . . . 0.0 112.314 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -120.79 135.38 24.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.549 0.69 . . . . 0.0 111.115 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -14.21 35.83 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.706 2.27 . . . . 0.0 112.346 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -95.87 163.67 13.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 115.12 143.54 8.1 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.473 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.17 106.92 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.899 0.38 . . . . 0.0 111.13 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 27.2 m -95.94 99.7 11.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 35.6 m -92.57 147.49 34.38 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.629 0.728 . . . . 0.0 111.115 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -41.11 4.46 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.674 2.25 . . . . 0.0 112.319 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 6.7 t -174.8 172.75 2.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 157.61 143.27 3.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -16.96 37.69 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.692 2.262 . . . . 0.0 112.332 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.7 m -76.54 143.94 40.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 29.2 t -88.42 165.74 14.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.536 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m -71.95 93.19 1.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.84 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.7 m -122.17 136.8 54.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.22 74.83 0.14 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.452 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.7 p -113.33 96.29 5.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.868 0.366 . . . . 0.0 110.846 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.9 p -54.06 -176.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.44 -57.4 0.43 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 tp -93.79 137.02 33.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.857 0.361 . . . . 0.0 110.899 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.6 t -91.29 -61.64 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -151.54 155.28 38.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -135.2 136.24 8.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.509 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -173.15 142.24 6.58 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.44 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -68.74 133.7 48.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.795 0.331 . . . . 0.0 110.934 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.437 HD11 ' NE1' ' A' ' 105' ' ' TRP . 66.7 mt -131.13 143.48 50.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.516 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 73.7 m95 -84.24 121.07 26.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.4 ttt-85 -118.57 144.31 46.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -108.61 133.61 52.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 t -74.01 -177.03 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.7 m -100.52 -49.01 4.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 42.8 mt -83.53 -50.67 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.78 -17.17 63.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.937 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.7 mtp180 41.5 30.64 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.8 ttt180 -113.62 156.86 22.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -89.07 142.57 27.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -144.25 141.23 29.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.516 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 9.2 mtt180 -73.79 138.12 44.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -151.53 139.47 20.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -88.39 103.53 15.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.566 ' CE2' ' CD2' ' A' ' 39' ' ' TYR . 30.9 m-85 -90.81 122.26 33.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.61 139.14 54.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.127 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 31.3 tp -106.6 133.69 50.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -103.84 148.96 25.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mt -59.33 -27.64 66.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -59.26 -15.56 16.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.75 35.52 6.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.519 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.2 p -127.97 145.31 51.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.816 0.341 . . . . 0.0 111.156 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.64 ' HB2' HD11 ' A' ' 54' ' ' ILE . 11.2 tp -110.64 117.69 34.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.52 127.18 5.17 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.46 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.566 ' CD2' ' CE2' ' A' ' 29' ' ' PHE . 11.8 p90 -110.82 150.86 28.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.893 0.378 . . . . 0.0 110.925 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.574 ' CD2' ' HA ' ' A' ' 48' ' ' GLU . 2.4 m-85 -136.49 174.92 10.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.557 ' CD2' ' OD2' ' A' ' 47' ' ' ASP . 16.7 m-70 -77.52 -31.38 53.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.87 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 44' ' ' THR . 33.6 t0 -162.55 179.6 7.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -39.88 -27.12 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 42' ' ' ASP . 61.9 p -67.56 97.62 0.61 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.492 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . . . -70.69 -17.98 62.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -60.08 -13.91 14.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.557 ' OD2' ' CD2' ' A' ' 41' ' ' HIS . 6.7 t70 -103.93 45.18 0.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.574 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . 6.3 pt-20 -49.94 106.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -73.28 -35.72 66.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 5.1 t70 -174.85 174.27 2.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -155.62 119.65 4.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.461 HG22 ' HB3' ' A' ' 37' ' ' LEU . 22.6 m -115.3 164.87 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 63.1 t -90.01 136.04 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.64 HD11 ' HB2' ' A' ' 37' ' ' LEU . 32.6 mm -107.61 -43.24 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 56' ' ' PHE . 14.5 t60 -49.3 117.54 2.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.436 ' C ' ' O ' ' A' ' 55' ' ' HIS . 19.3 m-85 35.0 47.98 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -123.52 -24.47 4.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.64 HG11 HD11 ' A' ' 61' ' ' ILE . 60.0 t -75.51 106.65 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.084 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.429 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 4.6 tpt180 -73.73 -38.35 64.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 59' ' ' ARG . 18.7 m-20 -162.12 171.64 17.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.746 HD12 ' HG2' ' A' ' 110' ' ' MET . 83.5 mt -152.82 118.2 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.144 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -105.22 143.04 33.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.6 t -140.74 134.53 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . 61.45 -133.66 47.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.52 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 66' ' ' GLU . 45.8 tt0 -37.43 -50.14 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.735 0.302 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 65' ' ' GLN . 26.4 mt-10 -37.48 -51.21 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 81.9 m -75.65 116.36 16.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -125.08 1.17 7.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -110.89 34.94 3.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.8 p -156.33 139.88 7.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -96.8 127.88 37.73 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.607 0.717 . . . . 0.0 110.958 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 142.74 48.67 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.728 2.285 . . . . 0.0 112.314 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 162.78 40.78 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.709 2.272 . . . . 0.0 112.301 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -66.54 131.24 45.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.51 -59.52 0.5 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.504 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -64.86 -178.98 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.792 0.33 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.1 m -123.46 164.69 18.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -56.25 -43.56 78.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -54.3 -16.94 2.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -77.23 -32.47 48.05 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 mp -46.24 151.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 110.948 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.7 tp -166.23 110.78 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.4 m -112.2 133.63 54.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 98.8 t -113.69 129.02 70.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -94.21 139.71 30.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.6 mt -117.87 145.23 44.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 88' ' ' GLU . 25.0 mtt180 -61.85 -45.15 95.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 87' ' ' ARG . 9.9 pt-20 -36.67 -47.1 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 132.73 45.11 0.13 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.468 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 t -161.55 160.37 28.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 0.0 110.847 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.1 ptt-85 -117.43 164.15 15.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.9 mt -121.92 107.46 12.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -82.69 110.65 17.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.821 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 16.2 mt -130.76 167.82 18.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.477 ' N ' ' O ' ' A' ' 15' ' ' TRP . 2.7 t -150.61 123.24 8.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -86.73 -176.94 5.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.464 ' HG2' ' N ' ' A' ' 98' ' ' THR . 24.4 pm0 -96.72 -32.66 12.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.464 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 80.5 p -135.1 151.76 51.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.165 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 30.0 ptt180 -55.82 -41.62 74.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -55.76 -51.82 66.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.77 -51.15 70.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.55 -52.35 23.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.132 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 85.9 mt -59.09 -40.76 81.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.175 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.49 -47.45 66.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.102 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.437 ' NE1' HD11 ' A' ' 14' ' ' LEU . 32.0 m95 -60.87 -47.13 87.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -50.03 -40.86 46.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 87.2 m -73.61 -44.97 55.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.2 -29.41 70.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 44.4 mt -85.41 -51.91 6.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.746 ' HG2' HD12 ' A' ' 61' ' ' ILE . 8.6 mmt -57.34 -32.6 66.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -68.77 -67.6 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.16 -28.56 7.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.162 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -65.42 -43.53 90.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 67.1 m -114.01 42.72 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.821 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 13.4 m -157.36 105.08 1.85 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.588 0.708 . . . . 0.0 111.138 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 175.69 7.82 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.689 2.259 . . . . 0.0 112.306 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -101.85 143.88 27.48 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.515 0.674 . . . . 0.0 111.131 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -19.88 35.75 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.671 2.247 . . . . 0.0 112.347 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.38 -60.22 3.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 112.25 90.64 1.93 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.504 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -122.4 176.57 5.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.853 0.358 . . . . 0.0 111.098 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 81.6 p -126.55 168.28 14.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.152 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 13.6 m -103.62 146.07 31.81 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.659 0.742 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 179.03 3.99 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.701 2.267 . . . . 0.0 112.364 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.5 t -53.7 145.42 15.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -108.75 82.13 0.3 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -24.65 29.3 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.695 2.264 . . . . 0.0 112.303 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 70.2 p -80.22 136.7 36.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 130' ' ' GLY . 6.6 t -98.81 113.42 25.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.845 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 129' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.46 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.2 m -102.65 134.21 46.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.36 . . . . 0.0 110.842 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 m 64.42 46.41 3.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.32 138.43 14.89 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.454 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -138.32 112.1 8.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.889 0.376 . . . . 0.0 110.845 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.0 p -105.82 158.5 16.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.38 116.47 0.55 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.471 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.769 HD11 ' HB1' ' A' ' 30' ' ' ALA . 25.5 tp -96.3 143.69 27.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.835 0.35 . . . . 0.0 110.944 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 36.7 t -99.58 -60.75 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 10' ' ' ARG . 3.4 ptp180 -150.24 173.65 13.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.42 -147.45 4.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.24 159.77 10.96 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 53.2 m95 -101.03 140.99 34.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.767 0.318 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.466 HD11 ' NE1' ' A' ' 105' ' ' TRP . 24.1 mt -139.11 143.66 38.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.553 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 86.6 m95 -84.65 115.56 22.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.448 ' HB2' ' CD2' ' A' ' 94' ' ' LEU . 16.8 ttp85 -108.2 139.73 42.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -94.07 118.22 31.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.1 m -56.92 177.65 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -95.21 -57.64 2.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.471 HG23 ' HG ' ' A' ' 21' ' ' LEU . 2.7 tp -80.29 -37.6 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 23' ' ' ARG . 18.9 mt -82.19 -15.64 52.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 40.04 25.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 21' ' ' LEU . 19.1 mtm180 -110.66 145.91 37.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.512 ' CG ' ' HB3' ' A' ' 73' ' ' PRO . 98.8 m95 -68.19 144.09 55.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -143.43 145.82 32.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.553 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 28.0 mtm180 -76.08 124.3 27.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -140.22 132.09 27.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 46.6 t90 -91.91 104.79 17.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -95.3 137.8 33.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.769 ' HB1' HD11 ' A' ' 8' ' ' LEU . . . -138.86 143.84 38.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.053 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.424 HD12 ' O ' ' A' ' 36' ' ' THR . 52.7 tp -96.51 148.04 23.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.95 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -116.39 156.17 27.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mt -66.12 -20.29 66.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -83.92 20.13 1.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 57.28 58.32 15.17 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.498 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.424 ' O ' HD12 ' A' ' 31' ' ' LEU . 19.1 p -145.08 153.69 41.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 0.0 111.115 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.454 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 11.5 tp -122.68 107.0 11.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.6 129.63 8.53 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.47 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -115.69 145.45 42.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.926 0.393 . . . . 0.0 110.912 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.522 ' CD2' ' HA ' ' A' ' 48' ' ' GLU . 1.2 m-85 -125.42 173.03 9.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.946 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 -63.23 -45.81 89.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -134.6 168.72 18.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -44.56 -39.5 4.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 46' ' ' GLN . 77.4 p -65.3 88.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.123 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.47 82.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 44' ' ' THR . 37.4 mt-30 -124.04 -47.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.61 73.01 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.522 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . 7.3 pt-20 -55.01 114.66 1.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -68.8 -48.12 64.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -166.32 175.95 7.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 37.9 ttp180 -144.82 122.83 12.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.4 m -119.75 126.07 74.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.9 t -57.39 140.97 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.454 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 17.1 mm -109.79 -39.68 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -58.14 122.46 13.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 37.51 41.05 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -117.6 -37.49 3.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.4 t -67.17 122.6 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.146 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.3 ttt85 -85.41 -35.65 21.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -171.5 160.86 6.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.8 mt -141.38 127.22 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.472 ' CE ' ' HB3' ' A' ' 66' ' ' GLU . 2.9 mmmm -110.39 162.65 14.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 51.1 t -149.23 149.57 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.73 -133.95 52.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 67' ' ' CYS . 44.6 tt0 -47.99 -50.07 28.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.802 0.334 . . . . 0.0 110.941 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.472 ' HB3' ' CE ' ' A' ' 62' ' ' LYS . 19.0 mt-10 -39.76 -25.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.842 ' SG ' HD23 ' A' ' 81' ' ' LEU . 31.6 p -43.76 167.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -85.79 71.26 10.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 t0 38.41 37.19 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.492 ' O ' HD21 ' A' ' 81' ' ' LEU . 14.1 p -103.02 135.22 41.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -89.45 140.07 28.36 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.586 0.708 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 157.31 60.7 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.688 2.259 . . . . 0.0 112.321 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.512 ' HB3' ' CG ' ' A' ' 24' ' ' TRP . 54.1 Cg_endo -69.74 146.5 60.48 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.374 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -40.71 127.57 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.27 -63.11 0.54 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.435 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -55.98 174.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.782 0.325 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 74.8 m -110.38 174.7 5.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.7 mtm-85 -77.56 -33.4 54.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.02 -9.32 37.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -83.14 -20.77 60.14 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.506 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.842 HD23 ' SG ' ' A' ' 67' ' ' CYS . 1.8 mp -50.98 145.71 7.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.93 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 tp -161.71 110.39 1.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.1 m -112.26 144.37 41.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 46.5 t -124.39 136.35 60.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.165 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -102.24 136.06 42.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 70.4 mt -104.86 141.78 35.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -62.38 -31.0 71.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -55.85 -46.34 78.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 134.89 54.34 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.499 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 51.0 m -161.78 165.3 28.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.892 0.377 . . . . 0.0 110.799 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -123.99 158.45 32.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.849 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.0 mt -125.54 101.59 6.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -81.12 117.58 21.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.82 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.448 ' CD2' ' HB2' ' A' ' 16' ' ' ARG . 63.3 mt -137.07 163.61 30.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 37.4 t -148.05 126.01 12.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.812 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.75 173.14 7.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 98' ' ' THR . 17.6 pt-20 -76.24 -46.82 26.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.443 ' N ' ' HG3' ' A' ' 97' ' ' GLU . 82.5 p -124.8 165.04 18.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -69.11 -12.06 61.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -75.9 -54.03 7.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.99 -37.92 77.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.47 -51.43 69.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 80.3 mt -59.04 -46.35 91.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.1 -44.4 52.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.466 ' NE1' HD11 ' A' ' 14' ' ' LEU . 14.8 m95 -68.31 -44.19 75.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.959 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.5 tttm -57.14 -42.26 80.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 95.0 m -74.44 -45.99 42.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.85 -30.19 70.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.404 HD22 HD12 ' A' ' 54' ' ' ILE . 61.1 mt -85.05 -55.96 3.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 10.5 mmt -50.92 -33.21 23.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -73.02 -64.17 1.02 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.15 -33.26 11.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.077 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -67.91 -35.62 78.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 92.2 p -117.91 37.47 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 7.0 m -152.58 105.01 2.72 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.602 0.715 . . . . 0.0 111.155 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 174.03 10.09 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.709 2.273 . . . . 0.0 112.344 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -110.67 85.07 4.52 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.54 0.686 . . . . 0.0 111.073 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 87.15 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 2.252 . . . . 0.0 112.371 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -161.6 126.07 3.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -164.96 61.05 0.24 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.471 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.81 156.32 1.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.854 0.359 . . . . 0.0 111.104 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 73.3 p -82.01 -39.81 23.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.137 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 3.1 p -78.83 129.26 74.18 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.606 0.717 . . . . 0.0 111.142 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 123.4 10.08 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.706 2.271 . . . . 0.0 112.347 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 59.1 p -126.66 150.91 48.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.846 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -150.08 143.71 11.06 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.473 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 90.89 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.686 2.258 . . . . 0.0 112.323 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 73.4 p -99.79 95.39 6.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 34.7 t -104.45 128.97 52.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.823 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.464 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -164.81 154.25 13.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.892 0.377 . . . . 0.0 110.889 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t 39.0 43.58 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.6 177.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.477 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.2 p -111.35 122.51 48.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.87 0.367 . . . . 0.0 110.876 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.7 p -108.9 90.44 3.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.58 -53.04 4.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.543 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.473 HD23 ' N ' ' A' ' 9' ' ' VAL . 3.2 tt -103.73 133.92 47.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.473 ' N ' HD23 ' A' ' 8' ' ' LEU . 89.6 t -85.23 -56.83 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.2 ttm-85 -165.41 148.19 7.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.553 ' HA3' ' CZ2' ' A' ' 28' ' ' TRP . . . -143.62 137.31 7.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.484 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.26 149.02 17.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.495 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 49.0 m95 -68.87 142.57 54.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.814 0.34 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.742 HD11 ' NE1' ' A' ' 105' ' ' TRP . 33.6 mt -151.29 139.51 20.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.539 ' CH2' ' CD ' ' A' ' 26' ' ' ARG . 99.1 m95 -74.83 123.34 24.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.9 ttp85 -119.1 139.3 52.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.425 ' NE2' ' CZ2' ' A' ' 24' ' ' TRP . 17.5 mt-30 -84.53 144.99 28.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.6 m -65.26 -177.53 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 m -73.04 -68.75 0.46 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.826 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.3 pt -124.32 34.08 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.1 tp -120.95 -14.68 8.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 50.07 49.48 20.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -125.08 128.16 48.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.425 ' CZ2' ' NE2' ' A' ' 17' ' ' GLN . 98.6 m95 -74.92 131.78 40.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -125.42 150.28 47.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.539 ' CD ' ' CH2' ' A' ' 15' ' ' TRP . 36.4 mtm180 -92.28 119.57 31.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -139.46 169.91 16.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.553 ' CZ2' ' HA3' ' A' ' 11' ' ' GLY . 13.2 t-105 -113.74 117.54 31.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -107.3 130.67 54.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.47 136.42 36.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.071 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 30.3 tp -95.11 146.7 24.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -112.27 163.92 13.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mt -71.82 -20.96 61.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -80.22 11.28 3.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.41 55.57 22.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.9 p -141.2 136.65 31.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.841 0.353 . . . . 0.0 111.152 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.541 ' HB2' HD11 ' A' ' 54' ' ' ILE . 8.5 tp -107.16 107.6 18.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.83 141.46 16.0 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.505 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -123.37 141.15 52.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.925 0.393 . . . . 0.0 110.911 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.48 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 1.4 m-85 -124.06 159.6 29.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -56.99 -45.38 83.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -104.39 163.07 12.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -50.0 -38.21 36.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.93 -178.89 6.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.161 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -106.65 95.93 6.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -125.39 -46.02 1.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.82 74.24 0.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -40.36 132.37 2.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -103.37 -54.85 2.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -164.58 175.16 10.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.7 ttm105 -154.87 121.3 5.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.7 m -113.79 128.65 70.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.174 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.7 t -57.03 137.3 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.541 HD11 ' HB2' ' A' ' 37' ' ' LEU . 23.1 mm -107.38 -38.94 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 56' ' ' PHE . 8.6 t-80 -46.84 116.8 1.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 55' ' ' HIS . 86.7 m-85 36.66 41.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -126.81 16.57 7.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 69.6 t -111.12 102.92 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -59.66 -60.52 3.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -161.63 144.78 12.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.496 HG12 HG13 ' A' ' 84' ' ' VAL . 86.0 mt -116.76 121.61 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.444 ' HB3' ' CB ' ' A' ' 66' ' ' GLU . 76.8 mttt -102.74 155.39 18.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.6 t -149.06 132.97 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.099 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.57 -125.05 9.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 66' ' ' GLU . 27.9 mt-30 -58.95 -47.24 85.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.725 0.297 . . . . 0.0 110.917 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.444 ' CB ' ' HB3' ' A' ' 62' ' ' LYS . 41.6 mt-10 -35.21 -45.14 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 m -42.31 153.92 0.06 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 69' ' ' ASP . 41.4 tp60 -72.35 81.08 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 68' ' ' GLN . 2.6 m-20 35.07 37.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.4 t -74.13 137.44 23.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -93.82 129.35 38.31 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.61 0.719 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 148.18 64.57 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -163.69 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.335 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -77.01 130.82 37.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.839 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.28 -55.01 3.21 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.454 ' N ' ' CD ' ' A' ' 76' ' ' ARG . 5.5 mpt_? -60.56 175.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.809 0.338 . . . . 0.0 110.889 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 t -135.68 -178.31 5.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.1 mmm-85 -75.06 -1.0 20.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -102.07 15.76 28.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.805 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -124.97 -22.72 1.91 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.2 mp -46.39 153.39 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.825 0.345 . . . . 0.0 110.935 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.5 tp -164.15 112.64 1.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 88.5 m -117.64 137.58 52.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.496 HG13 HG12 ' A' ' 61' ' ' ILE . 47.2 t -116.99 149.87 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -120.04 130.08 54.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.8 mt -105.17 149.9 25.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 34.8 mtt180 -71.97 -26.97 62.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -60.79 -15.39 29.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.74 53.46 0.98 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.518 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 m -168.02 146.61 4.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.889 0.376 . . . . 0.0 110.853 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.4 mtm180 -115.2 170.69 8.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.803 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.0 mt -132.27 103.3 6.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -79.2 97.28 6.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.2 mt -114.57 164.84 13.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 8.8 t -147.72 121.57 9.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -88.0 175.88 7.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.457 ' HG2' ' N ' ' A' ' 98' ' ' THR . 0.8 OUTLIER -90.06 -31.79 17.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.457 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 77.1 p -137.42 160.34 39.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.147 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -62.37 -41.21 98.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.836 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -55.45 -53.45 56.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.67 -46.43 81.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.62 -57.39 10.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 46.7 mt -49.23 -45.63 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -47.97 -54.49 12.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.742 ' NE1' HD11 ' A' ' 14' ' ' LEU . 24.8 m95 -56.37 -45.69 80.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 66.5 tttt -53.02 -46.98 68.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 37.5 m -72.03 -39.0 69.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.165 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.66 -31.44 72.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 53.5 mt -88.62 -47.63 8.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 8.2 mmt -56.33 -38.6 71.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -66.03 -62.31 1.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.48 -42.25 64.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.107 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.02 -33.17 70.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.865 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 48.5 m -121.7 44.48 2.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 92.7 m -166.16 111.48 0.73 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.549 0.69 . . . . 0.0 111.143 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 167.85 23.31 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.691 2.261 . . . . 0.0 112.352 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.16 141.71 35.33 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.613 0.72 . . . . 0.0 111.089 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -8.01 22.51 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.712 2.274 . . . . 0.0 112.318 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -109.94 158.81 17.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.062 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -144.81 69.34 0.4 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.28 -62.42 1.63 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.817 0.341 . . . . 0.0 111.084 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 89.5 m -73.14 142.24 47.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.649 HG23 ' HD2' ' A' ' 124' ' ' PRO . 5.4 p -48.8 138.67 12.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.635 0.731 . . . . 0.0 111.092 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.649 ' HD2' HG23 ' A' ' 123' ' ' VAL . 54.1 Cg_endo -69.74 146.11 59.31 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.717 2.278 . . . . 0.0 112.361 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 91.2 p -59.02 170.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -54.97 165.3 3.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.472 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 128' ' ' SER . 53.7 Cg_endo -69.74 -4.9 14.94 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.668 2.246 . . . . 0.0 112.398 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 127' ' ' PRO . 61.5 m -37.1 -56.91 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 96.5 p -70.19 120.63 16.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.465 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -172.08 126.47 0.56 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.88 0.372 . . . . 0.0 110.858 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.4 p -122.04 170.5 9.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.837 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.76 73.46 1.2 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.8 p -162.52 157.75 22.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.875 0.369 . . . . 0.0 110.855 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.4 m -53.06 150.84 5.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.08 85.23 1.12 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.483 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.442 HD23 ' N ' ' A' ' 9' ' ' VAL . 4.6 tt -109.98 140.37 44.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.833 0.349 . . . . 0.0 110.911 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.442 ' N ' HD23 ' A' ' 8' ' ' LEU . 87.5 t -97.57 -61.88 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.8 tpm_? -135.91 144.57 45.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -150.23 107.45 0.35 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.532 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -147.94 161.87 28.64 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.445 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 58.3 m95 -80.5 133.15 35.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.783 0.325 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.668 HD11 ' NE1' ' A' ' 105' ' ' TRP . 25.7 mt -140.72 139.34 34.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.554 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 94.3 m95 -76.02 119.13 19.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.465 ' HB2' HD23 ' A' ' 94' ' ' LEU . 24.8 ttp85 -110.36 149.18 30.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -112.24 104.64 12.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 p -50.98 175.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 53.1 p -111.44 -20.67 12.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.6 mp -94.16 -39.9 10.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.553 HD23 ' HB3' ' A' ' 23' ' ' ARG . 7.4 tp -94.6 -21.01 19.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 34.9 mtt-85 52.68 49.82 19.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.553 ' HB3' HD23 ' A' ' 21' ' ' LEU . 21.1 ttt180 -139.32 151.56 46.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.521 ' CH2' ' SG ' ' A' ' 95' ' ' CYS . 99.8 m95 -78.71 147.67 33.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.423 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -154.39 143.31 21.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.554 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 37.0 mtt180 -75.45 122.98 24.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -134.66 155.29 50.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.431 ' CE3' ' HA ' ' A' ' 43' ' ' GLU . 37.2 t90 -106.74 106.13 16.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' A' ' 39' ' ' TYR . 33.6 m-85 -96.3 141.1 30.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.428 ' HB1' HD11 ' A' ' 8' ' ' LEU . . . -143.25 127.96 18.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.108 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.428 ' CD1' HG13 ' A' ' 54' ' ' ILE . 17.8 tp -91.73 138.48 31.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 62.3 m95 -105.21 164.23 11.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 mt -76.87 -33.23 57.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.2 p30 -55.78 -22.8 26.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.01 40.82 2.38 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.453 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.4 p -133.68 155.72 49.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.368 . . . . 0.0 111.111 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.553 HD22 HD11 ' A' ' 54' ' ' ILE . 12.7 tp -125.9 116.74 21.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.77 139.01 11.45 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.493 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.573 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 28.3 p90 -122.49 118.14 27.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.903 0.383 . . . . 0.0 110.871 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.515 ' CG ' ' HA ' ' A' ' 45' ' ' ALA . 5.7 m-85 -109.68 168.1 9.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -55.79 -54.87 39.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.806 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -124.61 177.23 6.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.431 ' HA ' ' CE3' ' A' ' 28' ' ' TRP . 1.2 pm0 -61.7 -21.68 64.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.2 p -59.03 -24.59 62.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.169 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.515 ' HA ' ' CG ' ' A' ' 40' ' ' TYR . . . 52.84 43.76 31.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.075 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -84.95 -53.14 5.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -90.78 104.71 17.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.48 ' HG3' ' CE2' ' A' ' 40' ' ' TYR . 10.7 tt0 -78.05 100.6 6.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -67.48 -49.92 61.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -169.56 172.12 7.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 51' ' ' ARG . 17.3 ttp-105 -146.76 125.07 12.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.851 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.48 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 27.3 m -117.16 126.03 74.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.5 t -59.84 139.66 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.082 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.553 HD11 HD22 ' A' ' 37' ' ' LEU . 22.4 mm -107.09 -41.23 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 56' ' ' PHE . 7.8 t60 -43.17 108.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 55' ' ' HIS . 64.9 m-85 36.84 47.99 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -124.92 11.34 8.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 70.5 t -101.18 134.85 40.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -98.39 -35.96 10.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -174.54 158.83 2.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.491 HD12 ' HG2' ' A' ' 110' ' ' MET . 97.1 mt -141.6 118.19 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -107.05 140.25 40.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.478 HG22 ' CD1' ' A' ' 82' ' ' LEU . 90.0 t -131.26 135.33 59.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.92 -133.89 43.56 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 66' ' ' GLU . 22.8 pt20 -42.9 -46.89 5.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.317 . . . . 0.0 110.857 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.423 ' N ' ' HG3' ' A' ' 65' ' ' GLN . 25.8 mt-10 -40.03 -50.58 2.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.556 ' HB3' HG11 ' A' ' 70' ' ' VAL . 36.1 m -52.37 139.78 23.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -133.65 155.13 50.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.5 t70 59.54 30.82 20.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.556 HG11 ' HB3' ' A' ' 67' ' ' CYS . 5.4 p -140.87 128.94 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -103.7 135.18 19.4 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.646 0.736 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.48 ' HB3' HD11 ' A' ' 81' ' ' LEU . 54.0 Cg_endo -69.69 137.29 35.32 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.682 2.254 . . . . 0.0 112.392 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.421 ' HB3' ' CG ' ' A' ' 24' ' ' TRP . 53.5 Cg_endo -69.76 165.88 29.48 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.361 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -57.1 133.34 54.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.75 -62.71 1.6 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.447 ' HD2' ' N ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -51.52 -174.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 110.849 -179.852 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.8 m -131.25 166.23 21.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -60.19 -47.58 85.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -57.56 -31.59 66.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -59.47 -34.13 79.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.56 HD12 ' SG ' ' A' ' 95' ' ' CYS . 4.3 mp -39.04 146.52 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.863 0.363 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.478 ' CD1' HG22 ' A' ' 63' ' ' VAL . 7.0 tp -162.67 110.97 1.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 98.8 m -116.09 132.61 56.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 48.0 t -109.61 139.9 30.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -112.25 137.88 49.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 88.0 mt -103.26 139.52 38.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -49.53 -29.73 7.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 89' ' ' GLY . 16.4 pt-20 -65.63 -46.12 80.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.443 ' N ' ' HG3' ' A' ' 88' ' ' GLU . . . 150.42 -52.17 0.52 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 75.4 p -56.85 143.21 38.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 110.854 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -114.44 177.36 4.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.6 mt -133.36 125.04 28.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -96.91 110.09 22.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.819 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.465 HD23 ' HB2' ' A' ' 16' ' ' ARG . 12.2 mt -133.93 160.65 37.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.56 ' SG ' HD12 ' A' ' 81' ' ' LEU . 22.1 m -138.03 148.58 45.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -118.63 166.15 13.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -67.29 -50.44 60.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 82.3 p -133.71 166.98 21.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -62.31 -40.01 94.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.04 -58.25 7.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.92 -40.91 85.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.66 -50.47 73.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 29.9 mt -54.3 -41.9 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.74 -44.13 58.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.668 ' NE1' HD11 ' A' ' 14' ' ' LEU . 27.4 m95 -64.7 -46.1 83.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.426 ' HG3' ' CG2' ' A' ' 61' ' ' ILE . 35.0 tttt -53.18 -43.48 67.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 90.6 m -74.04 -43.77 56.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.137 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.67 -32.29 71.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.11 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 65.9 mt -84.97 -50.73 7.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.491 ' HG2' HD12 ' A' ' 61' ' ' ILE . 8.5 mmt -54.94 -43.97 73.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -56.42 -64.14 0.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.12 -41.23 62.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.084 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -61.15 -34.69 75.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.5 p -117.39 35.11 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.427 ' HA ' ' HD2' ' A' ' 116' ' ' PRO . 54.3 m -151.22 104.95 2.96 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.537 0.684 . . . . 0.0 111.193 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 115' ' ' THR . 53.3 Cg_endo -69.75 175.35 8.21 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.686 2.258 . . . . 0.0 112.307 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.626 ' HB1' ' HD2' ' A' ' 118' ' ' PRO . . . -125.0 161.42 49.41 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.577 0.703 . . . . 0.0 111.098 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.626 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 53.8 Cg_endo -69.77 0.61 5.4 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.352 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -129.21 153.67 47.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -131.0 123.79 3.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -133.87 173.17 11.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 111.128 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 11.7 t -155.14 139.05 16.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 35.3 m -136.19 150.24 70.41 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.665 0.745 . . . . 0.0 111.136 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -179.54 3.0 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.677 2.251 . . . . 0.0 112.322 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.7 m -148.39 171.8 15.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -82.02 -97.78 0.46 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.5 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -50.45 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.677 2.251 . . . . 0.0 112.374 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.8 m -58.34 171.05 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.0 m -57.71 156.0 9.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m -95.56 82.24 3.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.898 0.38 . . . . 0.0 110.87 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.1 t 42.42 43.64 3.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.81 -40.82 0.4 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.522 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.1 t -117.35 130.0 56.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 110.874 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.6 p -87.68 143.7 27.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' CA ' ' HG ' ' A' ' 33' ' ' LEU . . . 108.37 -52.09 0.67 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.522 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.416 HD13 ' HB1' ' A' ' 30' ' ' ALA . 39.3 tp -96.01 142.83 27.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.847 0.356 . . . . 0.0 110.924 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.415 HG11 HD23 ' A' ' 31' ' ' LEU . 98.5 t -98.09 -57.85 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.5 ttt85 -166.9 148.67 6.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -125.71 -159.93 10.47 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.443 ' N ' ' CZ3' ' A' ' 28' ' ' TRP . . . 133.31 126.72 2.71 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.551 ' CH2' ' HA ' ' A' ' 42' ' ' ASP . 72.2 m95 -63.95 133.22 52.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.816 0.341 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.724 HD11 ' NE1' ' A' ' 105' ' ' TRP . 18.1 mt -136.93 141.96 42.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.563 ' CZ3' ' HG3' ' A' ' 26' ' ' ARG . 87.6 m95 -76.59 116.48 17.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.8 ttt85 -109.49 134.59 51.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -84.58 163.36 19.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.8 m -114.71 174.04 6.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.827 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.5 t -103.43 -40.69 6.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.828 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 46.1 mm -93.15 -37.57 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -86.84 -20.42 27.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 44.96 44.91 8.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.5 ttt-85 -138.26 151.38 47.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -77.09 139.76 40.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.3 pttt -136.2 143.02 44.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.563 ' HG3' ' CZ3' ' A' ' 15' ' ' TRP . 1.7 mtp-105 -74.42 126.68 31.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -142.94 131.45 22.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.443 ' CZ3' ' N ' ' A' ' 12' ' ' GLY . 24.6 t-105 -90.99 104.52 17.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.537 ' CD2' ' HB3' ' A' ' 39' ' ' TYR . 26.3 m-85 -90.39 139.65 30.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.416 ' HB1' HD13 ' A' ' 8' ' ' LEU . . . -140.85 125.44 17.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.461 HD13 HG13 ' A' ' 54' ' ' ILE . 19.9 tp -91.79 134.35 34.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 76.2 m95 -102.35 153.23 20.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.481 ' N ' HD23 ' A' ' 33' ' ' LEU . 2.8 mt -62.08 -33.82 75.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -53.11 -22.08 5.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.86 38.7 3.32 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.455 ' O ' HD12 ' A' ' 31' ' ' LEU . 33.2 p -132.23 158.94 40.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 111.142 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.477 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 13.3 tp -127.1 118.31 24.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.91 137.33 9.54 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.482 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.537 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 34.2 p90 -120.86 117.15 26.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.897 0.38 . . . . 0.0 110.92 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.739 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 3.5 m-85 -98.76 173.66 6.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.538 ' CE1' ' OD2' ' A' ' 42' ' ' ASP . 0.5 OUTLIER -57.65 -40.78 80.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.551 ' HA ' ' CH2' ' A' ' 13' ' ' TRP . 21.1 p30 -144.11 178.5 7.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -44.7 -52.64 8.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.3 p -65.74 93.79 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.739 ' HB1' ' CE2' ' A' ' 40' ' ' TYR . . . -56.98 95.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -123.78 -43.69 2.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -101.2 84.42 2.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -58.38 93.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -66.51 -47.11 74.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -168.83 175.74 5.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 21.4 ttp180 -152.37 118.9 5.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.459 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 35.9 m -112.85 129.64 68.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 98.6 t -62.7 139.89 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.477 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 19.4 mm -107.35 -41.31 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.431 ' O ' ' C ' ' A' ' 56' ' ' PHE . 9.5 t60 -41.85 114.01 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 55' ' ' HIS . 63.6 m-85 35.69 43.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -121.64 15.64 11.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.8 t -106.96 119.61 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.8 ttt180 -85.47 -48.48 8.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -157.62 167.84 28.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.529 HD12 ' HG2' ' A' ' 110' ' ' MET . 98.2 mt -149.68 111.19 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -103.43 144.02 31.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.4 t -136.9 131.93 47.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.11 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.83 -122.32 11.69 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.479 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 66' ' ' GLU . 25.0 mt-30 -57.57 -49.68 75.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.746 0.308 . . . . 0.0 110.927 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 65' ' ' GLN . 29.8 mt-10 -34.29 -45.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.7 t -74.58 128.91 36.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -117.29 166.64 12.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 57.07 38.51 29.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 78.6 t -148.49 123.25 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -103.9 132.45 21.01 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.596 0.712 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 147.24 62.12 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.323 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 179.77 3.5 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.683 2.256 . . . . 0.0 112.329 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -70.15 134.2 47.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.56 -64.54 1.85 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.529 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -58.08 172.1 0.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.346 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.2 m -119.62 164.91 15.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -57.23 -48.59 78.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.3 -31.08 2.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.26 -36.12 92.99 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.0 mp -39.02 146.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.5 tp -163.13 110.37 1.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 85.0 m -118.06 137.5 52.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.505 HG21 ' CD1' ' A' ' 109' ' ' LEU . 58.6 t -116.52 133.11 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -99.28 137.32 37.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 89.5 mt -109.84 145.88 36.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 88' ' ' GLU . 14.1 mmm180 -57.8 -50.57 72.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 87' ' ' ARG . 9.5 pt-20 -36.79 -46.17 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 129.86 51.64 0.11 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.2 t -159.2 146.85 17.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.886 0.374 . . . . 0.0 110.795 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.3 ptt-85 -109.46 157.18 19.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.5 mt -117.42 106.0 12.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.416 ' O ' HD23 ' A' ' 94' ' ' LEU . 76.3 m80 -78.21 120.94 23.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.486 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 27.8 mt -147.04 160.14 42.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 37.6 t -148.18 124.95 11.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.05 178.6 5.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -75.72 -35.72 60.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 77.5 p -146.4 175.85 10.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 100' ' ' ASP . 23.2 ptt180 -67.94 -42.41 81.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.453 ' N ' ' HG3' ' A' ' 99' ' ' ARG . 0.3 OUTLIER -47.93 -59.34 3.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.13 -42.31 76.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.33 -50.19 74.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 74.9 mt -52.44 -46.69 47.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -47.12 -49.45 22.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.04 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.724 ' NE1' HD11 ' A' ' 14' ' ' LEU . 33.5 m95 -61.9 -46.54 88.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.6 tttm -51.23 -43.47 61.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.935 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 88.4 m -73.09 -41.06 64.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.15 -32.16 72.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.057 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.505 ' CD1' HG21 ' A' ' 84' ' ' VAL . 37.5 mt -85.71 -44.53 12.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.529 ' HG2' HD12 ' A' ' 61' ' ' ILE . 12.6 mmt -62.82 -37.34 86.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -64.61 -64.61 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.07 -36.95 31.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.01 -37.36 78.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 59.8 p -111.87 32.81 5.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.427 ' HA ' ' HD2' ' A' ' 116' ' ' PRO . 98.9 m -151.79 105.01 2.86 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.571 0.7 . . . . 0.0 111.124 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 115' ' ' THR . 54.0 Cg_endo -69.73 178.58 4.41 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.373 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -167.66 143.02 3.22 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.606 0.717 . . . . 0.0 111.105 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 0.11 6.12 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.273 . . . . 0.0 112.362 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -68.91 162.09 27.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.133 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -169.72 -149.22 6.2 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.514 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -149.41 155.97 41.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.85 0.357 . . . . 0.0 111.077 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 5.0 t -105.46 -19.96 13.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.429 HG23 ' HD2' ' A' ' 124' ' ' PRO . 7.3 p -103.92 133.13 20.42 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.601 0.715 . . . . 0.0 111.123 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.429 ' HD2' HG23 ' A' ' 123' ' ' VAL . 53.9 Cg_endo -69.79 -176.26 1.44 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 20.6 t -159.27 132.95 7.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -112.27 166.88 12.24 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.488 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 131.57 21.53 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 2.258 . . . . 0.0 112.341 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 23.1 t -94.36 104.2 16.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 77.5 p 40.66 42.26 1.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.823 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.481 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -111.44 169.46 8.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.904 0.383 . . . . 0.0 110.86 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 t -56.52 -50.53 71.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.64 109.44 3.78 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.519 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.7 m -81.99 103.74 11.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.942 0.401 . . . . 0.0 110.812 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 m -111.6 100.85 9.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.28 -44.5 3.38 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.481 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.42 ' CD1' ' HB1' ' A' ' 30' ' ' ALA . 8.9 tp -96.46 144.74 26.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.895 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.42 ' CB ' HD23 ' A' ' 31' ' ' LEU . 91.6 t -100.21 -59.25 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.687 ' NH1' ' HB1' ' A' ' 104' ' ' ALA . 40.2 ttt180 -151.31 160.88 43.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -149.06 150.86 23.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.65 126.43 0.86 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 79.1 m95 -53.67 132.91 41.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.82 0.343 . . . . 0.0 110.907 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.5 mt -133.1 154.3 50.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -93.24 116.96 29.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.418 ' HB2' ' CD2' ' A' ' 94' ' ' LEU . 37.7 ttp85 -111.38 134.33 53.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -84.02 122.77 29.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.4 t -60.21 175.0 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.4 t -108.15 -39.38 5.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.826 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 38.1 pt -94.11 -21.31 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.146 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.4 tp -107.6 -16.47 14.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.7 mtt85 48.67 38.64 11.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -127.54 138.69 52.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -64.08 143.56 57.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.44 153.12 46.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -81.03 133.91 35.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -153.58 141.29 20.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.455 ' CE3' ' HA ' ' A' ' 43' ' ' GLU . 49.3 t90 -96.48 101.69 13.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.414 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 44.7 m-85 -84.03 126.51 33.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.446 ' HB2' ' CZ3' ' A' ' 28' ' ' TRP . . . -127.89 125.14 39.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.106 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.42 HD23 ' CB ' ' A' ' 9' ' ' VAL . 25.0 tp -93.71 135.85 34.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -105.38 138.18 41.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.425 ' N ' HD23 ' A' ' 33' ' ' LEU . 3.0 mt -52.29 -24.61 7.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -61.68 -8.65 4.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.53 34.81 11.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.6 p -130.77 151.17 51.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.841 0.353 . . . . 0.0 111.173 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.626 ' HB2' HD11 ' A' ' 54' ' ' ILE . 10.2 tp -119.36 116.82 26.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.14 133.69 8.32 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.534 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -119.04 120.81 38.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.901 0.381 . . . . 0.0 110.933 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.424 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . 3.5 m-85 -109.44 171.06 7.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -55.91 -52.24 64.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -129.09 173.29 10.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.455 ' HA ' ' CE3' ' A' ' 28' ' ' TRP . 24.8 mt-10 -53.26 -42.26 66.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.4 p -44.71 -37.74 3.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.424 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . . . 62.91 48.9 3.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -85.33 -36.64 20.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -105.72 107.12 17.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -75.2 115.27 14.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -83.3 -59.58 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -159.56 169.37 23.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -141.98 119.56 11.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.439 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 27.1 m -112.84 131.69 63.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 66.9 t -65.22 137.51 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.626 HD11 ' HB2' ' A' ' 37' ' ' LEU . 29.7 mm -105.74 -41.55 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -54.93 120.13 6.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 38.32 47.56 1.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -124.73 -36.44 2.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.662 HG11 HD11 ' A' ' 61' ' ' ILE . 88.4 t -70.26 115.87 10.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -80.32 -46.55 15.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -154.96 163.76 39.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.662 HD11 HG11 ' A' ' 58' ' ' VAL . 97.0 mt -147.41 136.56 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.443 ' HB3' ' CB ' ' A' ' 66' ' ' GLU . 40.9 mttp -125.23 140.54 52.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.546 HG13 ' HB1' ' A' ' 102' ' ' ALA . 47.6 t -135.11 129.45 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.67 -130.33 20.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.476 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -44.98 -47.66 11.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.767 0.318 . . . . 0.0 110.934 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.443 ' CB ' ' HB3' ' A' ' 62' ' ' LYS . 22.0 mt-10 -40.09 -50.86 2.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 90.7 m -51.87 138.94 23.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.85 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -134.78 151.25 50.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.948 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.6 t70 63.19 33.72 14.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.411 HG21 ' CD2' ' A' ' 93' ' ' HIS . 59.4 t -142.94 140.65 27.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -120.33 130.99 24.58 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.581 0.705 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.479 ' HB3' HD11 ' A' ' 81' ' ' LEU . 54.6 Cg_endo -69.72 145.51 57.57 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.683 2.255 . . . . 0.0 112.35 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 170.1 17.41 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.698 2.265 . . . . 0.0 112.343 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -60.29 130.17 45.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.66 -57.42 1.34 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.506 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.456 ' HD2' ' N ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -51.11 -175.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 110.885 -179.894 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 62.5 m -125.29 169.45 12.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.1 mtt180 -72.29 -42.45 65.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.93 -33.21 72.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -55.7 -36.2 64.63 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.479 HD11 ' HB3' ' A' ' 72' ' ' PRO . 4.4 mp -38.79 142.84 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.823 0.344 . . . . 0.0 110.917 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.2 tp -152.39 116.07 4.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.2 m -118.12 123.17 44.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 57.7 t -106.35 142.55 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.134 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -112.92 130.23 56.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.5 mt -98.32 160.46 14.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -87.37 -18.36 30.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 89' ' ' GLY . 0.5 OUTLIER -68.99 -44.96 71.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.899 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.448 ' N ' ' OE1' ' A' ' 88' ' ' GLU . . . 139.01 57.48 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.442 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -172.66 163.55 5.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.884 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.9 ptp85 -128.01 161.19 29.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.9 mt -120.99 123.75 43.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.411 ' CD2' HG21 ' A' ' 70' ' ' VAL . 13.4 m80 -99.35 109.72 22.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.418 ' CD2' ' HB2' ' A' ' 16' ' ' ARG . 32.7 mt -132.16 172.02 12.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 52.8 t -150.31 126.25 10.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.622 ' HB3' ' HB2' ' A' ' 102' ' ' ALA . . . -95.83 153.65 17.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -47.4 -55.94 7.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 68.5 p -132.32 173.99 10.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 -61.08 -39.97 91.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -54.69 -55.43 29.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.59 -46.14 89.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.622 ' HB2' ' HB3' ' A' ' 96' ' ' ALA . . . -54.8 -53.19 58.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.085 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 19.1 mt -52.13 -45.86 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.158 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.687 ' HB1' ' NH1' ' A' ' 10' ' ' ARG . . . -46.2 -61.93 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 38.6 m95 -51.7 -43.49 62.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.442 ' HG3' ' CG2' ' A' ' 61' ' ' ILE . 15.5 tttt -54.28 -46.01 72.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 53.0 m -72.43 -42.18 65.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.145 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.64 -32.92 72.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 60.7 mt -81.07 -51.17 8.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.547 ' HG2' HD12 ' A' ' 61' ' ' ILE . 6.6 mmt -54.4 -43.56 71.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -61.39 -66.97 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.23 -36.74 21.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.154 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -62.51 -40.38 96.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 65.8 m -115.52 49.42 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.84 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 98.4 m -166.79 112.05 0.68 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.602 0.715 . . . . 0.0 111.15 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -170.96 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.703 2.269 . . . . 0.0 112.346 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.733 ' HB1' ' HD2' ' A' ' 118' ' ' PRO . . . -167.84 165.2 8.4 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.532 0.682 . . . . 0.0 111.092 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.733 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 53.7 Cg_endo -69.78 1.12 4.73 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.7 2.267 . . . . 0.0 112.369 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -42.36 -65.78 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 54.59 89.56 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.462 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -159.32 175.91 12.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.833 0.349 . . . . 0.0 111.089 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 68.6 m -148.93 133.49 17.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.469 ' CG2' ' HD2' ' A' ' 124' ' ' PRO . 12.0 p -171.19 136.61 1.05 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.623 0.725 . . . . 0.0 111.09 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 123' ' ' VAL . 53.8 Cg_endo -69.75 136.14 32.26 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.646 2.23 . . . . 0.0 112.37 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 64.8 p -107.0 89.13 2.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 44.93 83.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.453 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -1.09 7.86 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.696 2.264 . . . . 0.0 112.364 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 25.1 t -46.51 -62.31 1.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 21.6 t -88.11 94.51 9.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.832 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.461 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.6 t -70.3 154.47 41.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.876 0.369 . . . . 0.0 110.862 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.3 p -66.31 115.67 6.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.49 98.17 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.506 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.3 m -160.54 121.58 2.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.371 . . . . 0.0 110.883 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 t -127.87 109.44 11.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.41 -48.15 3.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.571 ' CD1' ' HB1' ' A' ' 30' ' ' ALA . 24.4 tp -96.71 138.34 34.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.883 0.373 . . . . 0.0 110.906 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.3 t -93.91 -59.5 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.101 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -158.95 147.54 18.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -120.13 -158.62 10.6 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 126.69 160.93 10.74 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.519 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 33.3 m95 -97.49 141.38 30.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 mt -143.32 143.84 31.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.962 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.428 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 75.7 m95 -74.12 118.13 16.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.7 ttp85 -108.99 134.22 51.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -87.52 130.88 34.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.931 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.1 p -67.37 -175.47 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 m -115.54 -17.67 11.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.2 tt -122.87 -33.47 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.167 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.419 HD23 ' HB2' ' A' ' 23' ' ' ARG . 4.0 tp -85.87 -4.41 59.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 21' ' ' LEU . 56.8 mtt85 37.07 38.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.419 ' HB2' HD23 ' A' ' 21' ' ' LEU . 50.0 mtt-85 -132.5 149.0 52.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.459 ' CH2' ' SG ' ' A' ' 95' ' ' CYS . 92.3 m95 -74.77 147.41 41.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -142.47 138.23 30.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.428 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 21.2 mtp180 -71.07 137.76 49.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.822 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -149.63 176.27 10.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.519 ' CG ' ' HA ' ' A' ' 43' ' ' GLU . 73.0 t90 -127.18 106.2 9.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.966 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -94.31 149.2 21.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.571 ' HB1' ' CD1' ' A' ' 8' ' ' LEU . . . -150.29 127.63 11.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 51.8 tp -92.14 136.99 32.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -109.23 147.96 31.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.0 mt -58.36 -24.33 59.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -67.41 -5.98 17.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.27 47.6 8.12 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.454 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.4 p -139.99 130.97 26.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 111.139 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.633 ' HB2' HD11 ' A' ' 54' ' ' ILE . 10.9 tp -99.19 107.55 19.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.57 128.63 7.54 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.462 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.508 ' CZ ' ' HB2' ' A' ' 50' ' ' ASP . 11.2 p90 -114.9 142.1 47.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.884 0.373 . . . . 0.0 110.939 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.491 ' CD2' ' HA ' ' A' ' 48' ' ' GLU . 3.2 m-85 -124.6 155.7 38.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 62.1 m-70 -45.14 -59.68 2.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -100.83 -176.49 3.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.519 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 8.0 pt-20 -84.31 15.18 3.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.4 p -124.03 125.63 44.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.59 87.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -133.45 -46.49 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -113.74 86.04 2.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.491 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . 23.9 tt0 -56.85 123.21 14.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -94.61 -52.63 4.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.508 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 2.9 m-20 -165.83 171.31 12.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -155.35 128.41 8.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.7 m -120.72 141.81 39.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 92.9 t -66.32 137.35 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.633 HD11 ' HB2' ' A' ' 37' ' ' LEU . 27.7 mm -107.81 -42.51 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 56' ' ' PHE . 6.5 t-160 -51.66 121.63 6.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.877 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 55' ' ' HIS . 57.9 m-85 36.14 48.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -125.64 -29.93 3.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 40.8 t -69.41 112.81 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.4 ttt85 -80.2 -38.87 30.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -165.52 166.45 18.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.619 HD12 ' HG2' ' A' ' 110' ' ' MET . 79.9 mt -147.69 120.02 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -103.36 152.59 21.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.596 HG22 HD12 ' A' ' 82' ' ' LEU . 29.9 t -149.12 135.89 12.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.89 -144.65 40.27 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 66' ' ' GLU . 37.5 tp60 -42.32 -38.91 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.782 0.325 . . . . 0.0 110.918 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 65' ' ' GLN . 12.4 mt-10 -34.25 -36.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 65' ' ' GLN . 16.0 p -41.04 158.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -114.41 -70.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.965 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -118.41 9.07 12.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.1 t -75.34 121.29 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -95.55 127.61 41.12 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.576 0.703 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.587 ' HB3' HD11 ' A' ' 81' ' ' LEU . 54.2 Cg_endo -69.73 145.01 56.02 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.732 2.288 . . . . 0.0 112.362 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.49 ' HG2' ' CG ' ' A' ' 76' ' ' ARG . 54.2 Cg_endo -69.72 153.72 68.77 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.707 2.272 . . . . 0.0 112.333 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -61.77 127.73 32.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.69 -48.28 1.03 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.526 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.49 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 7.5 mmt180 -68.92 -173.0 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.815 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.436 ' OG ' ' N ' ' A' ' 78' ' ' ARG . 1.5 t -118.6 174.78 6.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.436 ' N ' ' OG ' ' A' ' 77' ' ' SER . 38.8 mtm180 -85.24 -9.66 57.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -83.33 -14.15 53.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -87.06 -14.17 64.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.617 HD12 ' SG ' ' A' ' 95' ' ' CYS . 5.4 mp -55.91 124.97 19.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.837 0.351 . . . . 0.0 110.907 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.596 HD12 HG22 ' A' ' 63' ' ' VAL . 3.3 tp -137.87 122.25 18.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.9 m -120.72 134.52 55.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.104 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 48.1 t -118.53 138.61 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -107.76 134.66 50.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.3 mt -111.81 150.79 29.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.963 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -66.05 -32.9 74.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -58.11 -16.49 13.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.91 67.54 1.05 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.4 t -174.64 127.4 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.827 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.0 ptt-85 -93.63 153.01 18.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 mt -110.86 127.66 55.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -97.41 99.71 11.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.7 mt -128.43 161.17 30.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.963 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.617 ' SG ' HD12 ' A' ' 81' ' ' LEU . 11.8 m -144.57 145.18 31.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -113.32 171.85 7.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -72.03 -49.56 35.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 80.9 p -130.77 167.96 18.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.154 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -56.28 -43.15 78.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.59 -63.67 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.19 -48.68 34.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.03 -50.37 66.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 66.9 mt -62.45 -47.18 94.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -46.83 -49.27 20.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -61.37 -45.28 95.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -52.6 -39.23 61.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 67.6 m -72.89 -37.99 67.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.85 -27.08 63.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 20.6 mt -88.63 -45.42 9.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.619 ' HG2' HD12 ' A' ' 61' ' ' ILE . 11.0 mmt -63.14 -30.34 71.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -75.47 -64.17 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -51.72 -31.74 27.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.089 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.71 -40.24 80.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.2 t -115.13 44.72 1.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 98.4 m -163.36 106.6 0.98 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.584 0.707 . . . . 0.0 111.118 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 177.65 5.34 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.74 2.293 . . . . 0.0 112.349 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.451 ' HB1' ' HD2' ' A' ' 118' ' ' PRO . . . -118.37 156.47 50.91 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.599 0.714 . . . . 0.0 111.088 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.451 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 53.2 Cg_endo -69.82 -21.61 32.94 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.707 2.271 . . . . 0.0 112.307 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.52 141.0 28.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -145.7 86.32 0.17 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -135.06 175.19 9.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.857 0.361 . . . . 0.0 111.073 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 36.1 m -95.4 128.85 42.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.148 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.434 HG22 ' H ' ' A' ' 123' ' ' VAL . 0.4 OUTLIER -67.96 141.67 94.67 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.59 0.71 . . . . 0.0 111.134 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 125' ' ' SER . 54.1 Cg_endo -69.78 1.33 4.55 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.716 2.277 . . . . 0.0 112.314 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 124' ' ' PRO . 12.1 t -34.54 -42.02 0.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 58.86 -156.53 23.63 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 90.7 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.655 2.237 . . . . 0.0 112.375 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 46.8 t -159.52 161.9 35.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.8 t -152.17 144.5 24.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.492 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -63.35 163.7 10.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.857 0.361 . . . . 0.0 110.848 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 m -112.35 -52.31 2.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.4 -107.59 3.29 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.52 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -71.17 154.04 42.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.848 0.356 . . . . 0.0 110.872 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 m -89.42 117.6 28.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.414 ' CA ' ' HG ' ' A' ' 33' ' ' LEU . . . 123.94 -53.09 0.76 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.535 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.1 tp -100.18 149.85 23.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.339 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 82.6 t -110.64 -58.1 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.5 ttt85 -152.95 161.55 42.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -150.35 -175.81 22.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.452 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 144.32 176.51 18.4 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -101.6 135.33 43.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.769 0.318 . . . . 0.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.561 HD11 ' NE1' ' A' ' 105' ' ' TRP . 9.9 mt -139.22 148.32 42.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.558 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 86.3 m95 -82.22 120.29 25.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.0 ttp85 -108.47 140.18 42.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -104.83 152.88 22.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.4 t -104.91 174.06 6.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.836 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.3 m -91.62 -36.27 13.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.1 mp -99.66 -44.21 11.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.097 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 23' ' ' ARG . 4.7 tp -76.13 -19.97 58.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.5 mmm-85 38.74 26.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 21' ' ' LEU . 42.8 mtp180 -112.41 144.36 41.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.446 ' CE2' ' HD3' ' A' ' 73' ' ' PRO . 95.8 m95 -77.59 145.49 36.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.31 140.22 30.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.558 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 37.8 mtm180 -74.36 132.44 42.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -149.43 150.75 32.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 24.2 t-105 -100.72 119.38 38.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -105.35 149.02 26.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.94 126.65 9.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.593 HD12 ' O ' ' A' ' 36' ' ' THR . 41.5 tp -92.8 133.73 35.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -102.35 146.31 28.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.955 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.414 ' HG ' ' CA ' ' A' ' 7' ' ' GLY . 3.0 mt -54.72 -29.46 53.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.37 -15.49 10.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.79 38.13 5.89 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.442 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.593 ' O ' HD12 ' A' ' 31' ' ' LEU . 7.2 p -131.69 161.6 32.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 111.125 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.459 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 13.4 tp -123.15 111.33 16.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.08 116.34 2.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -105.05 136.58 44.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.846 0.355 . . . . 0.0 110.91 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.534 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 1.0 OUTLIER -116.64 175.62 5.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.21 -49.42 69.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -146.74 -175.45 4.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -41.03 -39.64 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.9 p -68.63 102.45 1.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.534 ' HB1' ' CE2' ' A' ' 40' ' ' TYR . . . -78.48 49.6 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -106.28 -25.98 11.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 48' ' ' GLU . 9.0 m-20 -101.3 46.05 0.95 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 47' ' ' ASP . 40.0 tt0 -34.44 113.5 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.8 -54.08 6.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -165.63 -179.44 5.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -156.08 128.54 7.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.41 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 29.6 m -126.08 130.27 72.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.417 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 60.9 t -58.02 137.47 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.459 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 14.8 mm -107.88 -42.62 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 56' ' ' PHE . 6.5 t-160 -50.93 122.74 7.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' HIS . 86.5 m-85 37.18 35.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 53' ' ' VAL . 11.4 t30 -111.61 -31.33 7.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.619 HG11 HD11 ' A' ' 61' ' ' ILE . 89.3 t -68.42 107.71 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.9 ttt-85 -79.72 -39.82 30.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -158.21 167.43 29.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.619 HD11 HG11 ' A' ' 58' ' ' VAL . 59.6 mt -150.86 115.66 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -103.38 139.97 38.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.461 HG22 HD12 ' A' ' 82' ' ' LEU . 54.3 t -139.92 130.68 31.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.87 -136.82 33.39 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -40.12 -40.78 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.759 0.314 . . . . 0.0 110.9 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -38.68 -54.13 1.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.2 m -48.41 151.75 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -145.17 137.85 26.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 62.53 46.3 5.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.8 p -141.15 134.98 31.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.093 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.456 ' NE2' ' HD2' ' A' ' 72' ' ' PRO . 69.8 tp60 -102.25 122.57 46.27 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.614 0.721 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.456 ' HD2' ' NE2' ' A' ' 71' ' ' GLN . 54.1 Cg_endo -69.73 153.16 69.38 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.72 2.28 . . . . 0.0 112.341 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.457 ' HG2' ' CG ' ' A' ' 76' ' ' ARG . 54.1 Cg_endo -69.67 144.63 55.14 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.698 2.265 . . . . 0.0 112.364 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -54.33 136.08 43.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.72 -58.51 1.85 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.478 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.457 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 3.9 mmp_? -55.03 -173.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 110.857 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 p -125.02 167.41 14.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -75.83 -14.71 60.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.841 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.38 10.24 5.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -107.54 -25.32 6.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.3 mp -42.77 131.51 4.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.363 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.461 HD12 HG22 ' A' ' 63' ' ' VAL . 5.1 tp -152.84 121.91 6.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 98.3 m -125.91 135.18 51.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 90.2 t -114.48 127.92 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -94.3 128.33 40.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.3 mt -104.23 149.01 25.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 88' ' ' GLU . 27.5 mtt180 -64.56 -48.04 76.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 89' ' ' GLY . 11.7 pt-20 -38.08 -42.9 0.69 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.426 ' N ' ' HG3' ' A' ' 88' ' ' GLU . . . 124.12 53.38 0.19 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.469 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.5 m -162.92 127.05 2.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 0.0 110.857 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.3 ptt-85 -89.93 152.24 21.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.6 mt -115.56 102.08 9.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -78.44 105.01 9.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 58.5 mt -127.59 167.88 15.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 27.2 t -151.7 139.02 19.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -103.79 175.4 5.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -79.77 -45.81 18.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 67.4 p -131.81 165.53 23.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -55.85 -43.89 77.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.87 -65.17 0.61 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -48.73 -50.79 32.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.3 -57.31 9.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.096 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 20.0 mt -54.76 -46.48 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.177 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -46.69 -53.78 10.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.057 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.561 ' NE1' HD11 ' A' ' 14' ' ' LEU . 32.8 m95 -58.78 -44.68 90.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -53.45 -50.09 66.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.907 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 31.9 m -66.58 -44.17 82.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.73 -28.55 69.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 40.1 mt -84.88 -52.17 6.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 14.3 mmt -53.13 -31.29 41.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -74.7 -70.06 0.43 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.26 -26.82 3.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -71.76 -40.58 69.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 50.6 m -120.16 44.7 2.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.423 ' HA ' ' HD2' ' A' ' 116' ' ' PRO . 17.1 m -151.93 104.99 2.83 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.612 0.72 . . . . 0.0 111.141 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 115' ' ' THR . 53.6 Cg_endo -69.75 165.67 30.17 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.671 2.247 . . . . 0.0 112.316 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.687 ' HB1' ' HD2' ' A' ' 118' ' ' PRO . . . -139.35 163.59 44.59 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 0.0 111.11 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.687 ' HD2' ' HB1' ' A' ' 117' ' ' ALA . 53.7 Cg_endo -69.75 -24.73 29.37 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.702 2.268 . . . . 0.0 112.297 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.56 153.61 35.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -178.74 74.41 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -89.04 172.65 8.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 111.064 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 86.6 m -80.16 110.41 15.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 30.8 m -152.26 143.58 15.93 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.585 0.707 . . . . 0.0 111.105 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 95.62 0.56 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.7 2.267 . . . . 0.0 112.352 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.1 t -71.77 -175.82 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -148.36 70.26 0.33 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.515 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 163.89 36.55 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.664 2.242 . . . . 0.0 112.351 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 55.7 m -153.38 150.47 28.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.0 t -51.34 128.24 21.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 -179.957 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 m -139.45 164.33 30.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.351 . . . . 0.0 110.902 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.0 p -60.88 -24.71 66.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.73 100.87 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -153.84 139.97 18.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.369 . . . . 0.0 110.844 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -107.12 137.29 45.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.06 129.54 1.12 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.506 HD11 ' HB1' ' A' ' 30' ' ' ALA . 12.5 tp -104.88 155.71 18.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.859 0.361 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.446 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 44.2 t -114.73 -57.44 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.2 ttt-85 -149.68 152.84 36.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.83 88.83 0.15 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.514 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -127.25 148.77 17.57 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 54.6 m95 -70.8 151.99 44.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.752 0.31 . . . . 0.0 110.952 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.651 HD11 ' NE1' ' A' ' 105' ' ' TRP . 70.8 mt -153.5 137.41 16.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.519 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 98.1 m95 -77.9 120.99 23.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.5 ttp85 -111.22 138.7 47.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -93.54 132.44 37.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.2 m -91.68 -175.85 4.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.0 t -101.29 -62.1 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.543 ' H ' HD12 ' A' ' 20' ' ' ILE . 5.0 mp -71.0 -45.25 73.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.091 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 22' ' ' ARG . 10.5 mt -75.17 -16.44 60.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER 34.32 39.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.418 ' HG2' ' N ' ' A' ' 24' ' ' TRP . 35.7 ttt180 -133.15 151.09 51.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.425 ' CE2' ' HD3' ' A' ' 73' ' ' PRO . 92.6 m95 -78.26 132.57 37.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -128.96 145.57 51.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.519 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 15.3 mtm105 -74.68 139.85 43.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -150.87 138.3 19.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 28.5 t90 -94.86 99.58 11.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.442 ' CD2' ' HB3' ' A' ' 39' ' ' TYR . 51.5 m-85 -90.19 134.16 34.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.506 ' HB1' HD11 ' A' ' 8' ' ' LEU . . . -135.86 130.13 33.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.13 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.7 tp -96.58 134.16 40.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -104.15 152.66 21.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mt -59.01 -32.75 69.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -56.7 -21.54 28.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.44 39.15 3.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.452 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.8 p -128.34 155.42 44.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.778 0.323 . . . . 0.0 111.169 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.482 HD22 HD11 ' A' ' 54' ' ' ILE . 10.3 tp -121.54 111.18 16.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.09 132.51 9.41 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 50' ' ' ASP . 20.5 p90 -117.29 130.17 56.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.888 0.375 . . . . 0.0 110.922 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.53 ' CD2' ' HA ' ' A' ' 45' ' ' ALA . 2.7 m-85 -115.76 177.08 4.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -70.17 -63.26 1.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 44' ' ' THR . 17.5 t70 -126.71 176.93 6.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.23 -28.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 42' ' ' ASP . 63.2 p -73.97 106.93 5.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.136 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.53 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . . . -85.62 47.15 1.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -103.44 -14.69 16.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -114.56 66.4 0.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -54.54 107.44 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -75.68 -43.14 48.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 4.5 t70 -169.33 172.11 7.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.84 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -154.52 118.43 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.429 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 27.4 m -109.45 166.02 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.435 HG12 ' HB2' ' A' ' 57' ' ' ASN . 94.3 t -90.67 136.7 23.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.482 HD11 HD22 ' A' ' 37' ' ' LEU . 15.0 mm -108.19 -38.96 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.147 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -57.97 119.37 6.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.443 ' CE1' ' HA ' ' A' ' 114' ' ' SER . 61.7 m-85 38.23 45.59 0.79 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.435 ' HB2' HG12 ' A' ' 53' ' ' VAL . 6.8 t30 -121.73 -32.12 3.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 87.7 t -72.26 123.04 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.132 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -85.52 -42.71 14.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -165.37 155.8 13.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 77.6 mt -137.69 134.52 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -120.59 161.6 21.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 80.7 t -145.01 134.57 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.91 -131.67 36.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 66' ' ' GLU . 13.6 pt20 -41.56 -54.0 3.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.747 0.308 . . . . 0.0 110.915 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.441 ' N ' ' HG3' ' A' ' 65' ' ' GLN . 4.4 mm-40 -38.92 -50.13 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.0 t -63.71 163.27 11.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -54.28 -175.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -80.52 45.34 0.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.9 t -65.82 139.64 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -85.08 113.25 49.04 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.657 0.742 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 149.75 67.13 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.425 ' HD3' ' CE2' ' A' ' 24' ' ' TRP . 53.7 Cg_endo -69.78 155.26 66.33 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.637 2.225 . . . . 0.0 112.33 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -53.32 146.81 11.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.31 -48.65 4.09 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.449 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.453 ' HD2' ' N ' ' A' ' 76' ' ' ARG . 0.7 OUTLIER -71.32 -175.54 1.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.816 0.341 . . . . 0.0 110.908 -179.871 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.3 m -133.94 157.84 44.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -49.27 -51.62 32.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -44.27 -34.07 1.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -58.84 -37.88 91.35 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.488 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 80' ' ' GLY . 4.2 mp -35.08 143.65 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.784 0.326 . . . . 0.0 110.97 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.0 tp -163.03 111.25 1.27 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.0 m -118.24 145.34 45.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 97.7 t -124.57 129.01 73.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -93.45 143.12 26.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.419 HD22 HD22 ' A' ' 57' ' ' ASN . 57.5 mt -112.36 151.39 29.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.426 ' CD ' ' HA ' ' A' ' 57' ' ' ASN . 15.5 ptm180 -73.1 -27.69 61.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.15 -32.63 74.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 120.57 61.03 0.24 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.458 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.4 m -170.56 151.25 3.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.368 . . . . 0.0 110.856 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -116.22 153.19 32.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.2 mt -111.97 105.66 14.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -79.26 112.15 16.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.2 mt -137.93 167.61 21.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 32.6 t -150.27 136.56 18.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -105.82 155.37 19.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.053 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -55.93 -47.13 78.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 71.2 p -129.48 177.93 6.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.133 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -73.97 -26.12 60.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -67.12 -57.43 6.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.81 -35.22 66.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.66 -54.66 42.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 40.6 mt -53.21 -45.32 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -44.32 -50.66 8.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.651 ' NE1' HD11 ' A' ' 14' ' ' LEU . 47.3 m95 -64.99 -40.64 95.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.4 tttm -58.99 -46.37 88.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 87.3 m -72.35 -44.36 62.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.15 -28.37 69.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 41.9 mt -86.61 -55.94 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 7.2 mmt -48.26 -42.05 29.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -63.91 -65.94 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.5 -35.34 8.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.98 -37.73 88.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.443 ' HA ' ' CE1' ' A' ' 56' ' ' PHE . 1.3 t -118.33 37.71 3.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 36.5 m -153.92 105.03 2.47 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.546 0.689 . . . . 0.0 111.164 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 171.5 14.34 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.717 2.278 . . . . 0.0 112.339 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -113.67 149.31 41.5 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.573 0.701 . . . . 0.0 111.119 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -44.11 2.29 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.376 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . 62.91 44.37 6.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -126.43 60.31 0.65 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.454 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -59.46 100.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.348 . . . . 0.0 111.163 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.472 ' O ' HG23 ' A' ' 122' ' ' THR . 14.6 t -83.79 40.25 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.661 HG13 ' HD2' ' A' ' 124' ' ' PRO . 94.7 t -136.77 138.86 27.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.646 0.736 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.661 ' HD2' HG13 ' A' ' 123' ' ' VAL . 53.6 Cg_endo -69.8 95.62 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.643 2.229 . . . . 0.0 112.33 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 28.2 t -59.74 -57.59 12.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 136.63 140.13 4.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 128' ' ' SER . 53.7 Cg_endo -69.82 -21.04 33.79 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 127' ' ' PRO . 17.5 m -35.75 143.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 130' ' ' GLY . 6.1 m -76.56 123.19 25.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.802 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 129' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.533 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 t -151.54 169.33 22.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.92 0.39 . . . . 0.0 110.833 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -151.63 133.39 14.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.9 131.07 5.44 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -113.63 -67.54 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.911 0.386 . . . . 0.0 110.874 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t 66.2 35.0 6.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.834 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.457 ' CA ' ' HG ' ' A' ' 33' ' ' LEU . . . -154.72 -49.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.48 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.5 tp -84.41 155.01 22.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.367 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.514 HG11 HD23 ' A' ' 31' ' ' LEU . 46.8 t -127.55 -53.76 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.104 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.483 ' NH1' ' HB1' ' A' ' 104' ' ' ALA . 22.7 ttm180 -162.05 158.75 25.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -135.43 -139.03 3.96 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.09 174.72 24.42 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.456 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 47.0 m95 -109.71 144.04 38.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.804 0.335 . . . . 0.0 110.896 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.8 HD11 ' NE1' ' A' ' 105' ' ' TRP . 70.1 mt -143.65 139.69 29.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.548 ' CH2' ' HD2' ' A' ' 26' ' ' ARG . 94.4 m95 -77.86 124.07 27.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.418 ' NH2' ' HD3' ' A' ' 25' ' ' LYS . 30.2 ttp85 -118.72 140.32 50.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -72.94 166.17 23.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 t -128.1 164.1 23.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.2 p -115.62 -4.22 12.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.946 ' O ' HD13 ' A' ' 20' ' ' ILE . 0.0 OUTLIER -119.96 -27.89 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.146 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.6 tp -103.91 -14.1 16.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 49.08 48.93 20.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -164.48 137.83 5.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.475 ' CD1' ' HB3' ' A' ' 73' ' ' PRO . 70.8 m95 -52.77 151.54 4.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.418 ' HD3' ' NH2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -138.99 145.5 39.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.548 ' HD2' ' CH2' ' A' ' 15' ' ' TRP . 24.5 mtp85 -79.14 121.31 24.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -132.1 166.86 20.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.429 ' CH2' ' HB2' ' A' ' 30' ' ' ALA . 79.1 t90 -119.77 105.11 10.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.478 ' CD2' ' HB3' ' A' ' 39' ' ' TYR . 47.4 m-85 -90.78 146.55 23.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.429 ' HB2' ' CH2' ' A' ' 28' ' ' TRP . . . -146.47 129.77 16.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.054 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.514 HD23 HG11 ' A' ' 9' ' ' VAL . 25.3 tp -98.25 133.5 42.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.978 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -107.04 153.93 21.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.457 ' HG ' ' CA ' ' A' ' 7' ' ' GLY . 3.1 mt -59.75 -33.25 71.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -56.28 -15.65 4.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.46 39.16 6.03 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.468 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.6 p -127.54 149.87 49.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.802 0.334 . . . . 0.0 111.159 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.614 ' HB2' HD11 ' A' ' 54' ' ' ILE . 9.4 tp -118.21 113.17 21.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.04 139.03 14.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.471 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.478 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 11.8 p90 -121.56 115.38 22.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.881 0.372 . . . . 0.0 110.98 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.559 ' CD2' ' HA ' ' A' ' 45' ' ' ALA . 12.9 m-85 -101.48 164.84 11.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.498 ' CE1' ' OD1' ' A' ' 42' ' ' ASP . 0.5 OUTLIER -61.71 -54.68 39.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.498 ' OD1' ' CE1' ' A' ' 41' ' ' HIS . 97.0 m-20 -129.66 -179.26 5.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -47.87 -31.11 4.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.1 p -75.05 109.98 8.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.559 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . . . -81.34 47.83 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -104.25 -22.12 13.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 48' ' ' GLU . 1.1 m-20 -105.88 42.46 1.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 47' ' ' ASP . 9.6 tt0 -35.44 123.29 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -90.51 -43.95 9.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.441 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 4.2 m-20 -169.53 179.09 3.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.834 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -155.24 117.86 4.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 25.3 m -109.13 161.48 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 63.8 t -89.49 138.45 19.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.614 HD11 ' HB2' ' A' ' 37' ' ' LEU . 30.8 mm -107.57 -39.66 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -55.94 119.18 5.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 39.36 47.16 1.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -128.13 -31.51 2.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.503 HG11 HD11 ' A' ' 61' ' ' ILE . 71.9 t -69.18 100.4 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.8 ttt-85 -64.4 -48.61 74.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -154.71 169.7 23.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.809 HD12 ' HG2' ' A' ' 110' ' ' MET . 61.4 mt -145.54 125.72 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.2 mttm -111.55 135.26 52.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.819 HG13 ' HB1' ' A' ' 102' ' ' ALA . 62.3 t -137.83 131.04 42.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.149 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.3 -133.17 42.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.49 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.427 ' NE2' ' HG2' ' A' ' 66' ' ' GLU . 2.1 pp0? -39.82 -48.39 2.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.767 0.317 . . . . 0.0 110.938 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.427 ' HG2' ' NE2' ' A' ' 65' ' ' GLN . 4.0 mm-40 -37.73 -52.15 1.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.406 ' HB3' HG12 ' A' ' 70' ' ' VAL . 81.4 m -74.67 124.03 25.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 69' ' ' ASP . 25.6 mt-30 -119.83 -67.54 0.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -35.18 -51.22 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.406 HG12 ' HB3' ' A' ' 67' ' ' CYS . 11.3 p -70.08 140.5 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -116.09 141.95 28.49 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.624 0.726 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 141.02 44.22 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.688 2.259 . . . . 0.0 112.352 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.475 ' HB3' ' CD1' ' A' ' 24' ' ' TRP . 53.7 Cg_endo -69.79 -168.61 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.634 2.223 . . . . 0.0 112.333 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -75.71 105.17 6.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 119.32 -53.61 0.67 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.533 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.464 ' HD2' ' N ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -51.05 -176.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.817 0.341 . . . . 0.0 110.915 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.5 m -142.22 158.62 43.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.829 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 39.9 mtm180 -64.17 -14.01 52.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.11 20.5 4.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 81' ' ' LEU . . . -128.3 -32.37 0.63 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 80' ' ' GLY . 4.4 mp -34.38 149.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.813 0.34 . . . . 0.0 110.966 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.517 ' CD1' HG22 ' A' ' 63' ' ' VAL . 13.0 tp -161.44 112.23 1.7 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.9 m -119.63 135.78 54.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 94.7 t -114.37 130.57 68.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -97.66 146.34 25.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 26.1 mt -119.02 154.3 33.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -77.59 -36.2 52.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.36 -23.54 3.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 112.12 56.13 0.46 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.5 m -171.85 156.22 4.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 0.0 110.826 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.526 ' HG3' ' CE1' ' A' ' 93' ' ' HIS . 10.6 ptm180 -122.15 172.43 8.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.5 mt -132.54 106.56 7.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.526 ' CE1' ' HG3' ' A' ' 91' ' ' ARG . 29.9 m80 -81.05 109.73 15.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 93' ' ' HIS . 36.5 mt -130.13 170.24 14.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 40.3 t -149.56 138.33 21.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -107.65 160.3 15.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.084 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -71.3 -37.74 71.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 31.8 p -133.42 148.89 51.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -48.52 -40.09 25.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.56 -56.31 16.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -50.94 -44.06 60.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.819 ' HB1' HG13 ' A' ' 63' ' ' VAL . . . -62.96 -45.12 93.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.074 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 79.6 mt -61.31 -38.3 79.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.483 ' HB1' ' NH1' ' A' ' 10' ' ' ARG . . . -56.59 -40.99 76.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.104 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.8 ' NE1' HD11 ' A' ' 14' ' ' LEU . 49.1 m95 -68.73 -39.06 80.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.496 ' HD2' ' CG2' ' A' ' 61' ' ' ILE . 16.8 tptm -55.05 -40.3 70.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 94.2 m -83.27 -46.35 12.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.092 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.61 -26.76 67.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 42.9 mt -91.27 -50.77 5.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.809 ' HG2' HD12 ' A' ' 61' ' ' ILE . 5.5 mmt -57.23 -33.15 67.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -70.8 -66.52 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -48.18 -38.21 17.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -62.1 -30.82 71.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.3 m -123.71 43.24 3.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 81.5 m -161.05 105.06 1.25 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.573 0.701 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 166.68 26.74 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.716 2.277 . . . . 0.0 112.343 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -116.93 83.48 14.66 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.643 0.735 . . . . 0.0 111.12 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -39.78 6.12 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.688 2.259 . . . . 0.0 112.365 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -165.85 155.72 12.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -91.33 119.2 5.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.528 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -103.04 106.76 17.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.862 0.363 . . . . 0.0 111.131 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.2 p -97.67 158.82 15.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.412 ' HA ' ' HD2' ' A' ' 124' ' ' PRO . 86.2 t -134.86 99.63 12.47 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.593 0.711 . . . . 0.0 111.147 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 123' ' ' VAL . 54.2 Cg_endo -69.76 -47.56 0.9 Allowed 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.698 2.265 . . . . 0.0 112.37 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 31.4 t -73.96 127.44 32.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -147.57 -159.2 8.25 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 138.59 38.08 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.68 2.253 . . . . 0.0 112.304 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 10.2 t -65.16 147.34 53.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 27.5 m -108.91 -44.68 3.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.505 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 m -100.89 144.26 30.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.916 0.389 . . . . 0.0 110.855 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 t -89.85 141.14 28.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.98 -80.22 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.518 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.8 p 39.29 36.57 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 110.846 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.9 m -105.04 -50.81 3.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.49 -46.97 1.04 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.0 tp -104.33 143.51 32.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.904 0.383 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.448 HG23 HD23 ' A' ' 33' ' ' LEU . 60.8 t -103.2 -57.53 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 47.5 ttt85 -140.8 155.13 46.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -149.45 82.47 0.18 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.454 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -123.52 159.99 18.1 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.421 ' CZ3' ' HB3' ' A' ' 26' ' ' ARG . 52.8 m95 -85.91 133.44 33.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.787 0.327 . . . . 0.0 110.939 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.405 HD11 ' CD1' ' A' ' 105' ' ' TRP . 21.5 mt -136.88 145.08 43.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.564 ' CZ3' ' HG3' ' A' ' 26' ' ' ARG . 99.0 m95 -82.09 124.02 29.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.5 ttp85 -110.9 153.17 25.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -109.46 140.48 43.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.8 t -92.39 -175.25 3.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.6 p -125.24 -10.89 7.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.603 ' N ' HD12 ' A' ' 20' ' ' ILE . 2.2 mp -102.67 -38.43 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.11 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.6 mt -101.92 -20.38 14.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 58.99 27.87 16.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 mtp-105 -117.67 150.39 39.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -76.39 161.43 28.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.404 ' C ' ' HD3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -157.72 159.69 37.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.564 ' HG3' ' CZ3' ' A' ' 15' ' ' TRP . 31.4 mtp180 -90.76 140.14 30.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.539 HD22 ' N ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -154.36 148.96 26.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.539 ' N ' HD22 ' A' ' 27' ' ' ASN . 28.3 t90 -97.84 106.04 18.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.941 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.578 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 38.3 m-85 -94.27 127.23 40.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.77 144.5 51.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.091 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.444 HD23 ' CB ' ' A' ' 9' ' ' VAL . 26.1 tp -109.49 136.62 48.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -107.46 146.15 32.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.448 HD23 HG23 ' A' ' 9' ' ' VAL . 3.2 mt -60.12 -29.66 68.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.61 -16.01 3.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.42 40.88 4.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.473 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.3 p -135.21 153.5 51.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 111.134 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.468 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . 12.2 tp -123.78 111.05 15.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.05 139.53 12.4 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.412 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 16.9 p90 -117.76 138.33 52.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.935 0.398 . . . . 0.0 110.899 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.436 ' O ' ' C ' ' A' ' 41' ' ' HIS . 7.0 m-85 -131.0 148.27 52.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 40' ' ' TYR . 62.8 m-70 -34.45 -66.03 0.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -123.1 179.71 4.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.471 ' HA ' ' CE3' ' A' ' 28' ' ' TRP . 15.1 pt-20 -45.47 -28.58 0.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.2 p -78.67 115.14 18.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.53 54.41 2.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.107 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -93.71 -36.45 12.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -106.7 76.59 1.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -59.93 111.84 1.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -80.73 -46.45 15.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -169.61 173.52 6.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 51' ' ' ARG . 17.2 ttp-105 -153.75 117.57 4.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.529 ' HB ' HD13 ' A' ' 86' ' ' LEU . 34.1 m -107.5 170.39 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 44.4 t -95.5 141.02 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.461 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 5.5 mm -110.32 -39.65 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.45 ' CD2' ' HB2' ' A' ' 56' ' ' PHE . 3.1 t60 -55.76 119.97 6.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.45 ' HB2' ' CD2' ' A' ' 55' ' ' HIS . 15.4 m-85 35.88 45.32 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.408 HD22 HD22 ' A' ' 86' ' ' LEU . 7.8 t30 -125.61 -12.64 6.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.7 t -85.65 96.83 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -64.85 -44.63 89.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -163.46 166.24 22.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.406 HD12 ' HG2' ' A' ' 110' ' ' MET . 51.8 mt -144.56 120.6 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -106.79 143.21 35.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 46.1 t -141.48 133.27 28.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.71 -138.6 37.97 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.521 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -38.71 -39.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.776 0.322 . . . . 0.0 110.95 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -40.4 -53.93 2.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 m -72.86 -66.57 0.65 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 37.9 tp60 42.8 33.61 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -124.36 -30.28 3.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.4 t -92.89 148.16 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.138 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -88.71 118.82 69.74 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.571 0.7 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 135.96 31.7 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -178.31 2.26 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.42 ' C ' ' CD ' ' A' ' 74' ' ' GLU . 6.2 tm-20 -74.75 131.14 40.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 76' ' ' ARG . . . 98.38 -61.37 0.89 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.522 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.465 ' HD2' ' N ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -51.36 -175.13 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 -179.873 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.9 m -133.02 157.0 46.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.5 mtt85 -59.48 -51.33 70.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -55.3 -13.98 1.61 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -78.29 -25.84 60.7 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.483 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.7 mp -49.23 125.87 11.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.922 0.391 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.0 tp -133.92 116.97 16.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 87.0 m -121.47 139.62 53.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 38.4 t -117.39 150.38 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.149 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -115.98 120.75 40.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.529 HD13 ' HB ' ' A' ' 52' ' ' VAL . 61.0 mt -103.57 139.71 38.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.951 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.432 ' NE ' ' O ' ' A' ' 56' ' ' PHE . 54.0 mtm180 -59.16 -48.93 79.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 87' ' ' ARG . 19.1 pt-20 -36.7 -34.16 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 87' ' ' ARG . . . 114.37 51.72 0.46 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.442 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.2 t -166.08 116.69 1.01 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.9 0.381 . . . . 0.0 110.831 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.574 ' HG3' ' CE1' ' A' ' 93' ' ' HIS . 0.6 OUTLIER -86.52 158.35 19.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.915 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.6 mt -113.21 122.13 46.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.574 ' CE1' ' HG3' ' A' ' 91' ' ' ARG . 70.7 m80 -97.32 112.11 24.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.578 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 18.1 mt -134.69 165.82 24.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.4 t -140.18 119.4 12.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -89.68 164.03 14.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.034 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -70.77 -37.12 73.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 21.2 p -148.19 165.77 29.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -59.08 -34.87 72.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -57.21 -53.71 55.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -61.76 -42.82 99.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.6 -55.12 37.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 22.0 mt -53.29 -43.75 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -49.09 -41.83 36.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.048 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.405 ' CD1' HD11 ' A' ' 14' ' ' LEU . 43.6 m95 -69.3 -43.49 73.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.938 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -57.0 -39.46 74.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 91.6 m -73.21 -46.95 47.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.87 -29.0 70.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 46.0 mt -86.12 -55.07 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.406 ' HG2' HD12 ' A' ' 61' ' ' ILE . 10.9 mmt -51.53 -20.97 2.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -83.44 -64.99 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.59 -29.11 2.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.059 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.39 -39.79 77.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.1 m -115.14 41.11 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 26.1 m -156.62 105.0 1.98 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.587 0.708 . . . . 0.0 111.161 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -177.11 1.73 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.247 . . . . 0.0 112.324 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -110.97 83.29 3.57 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.591 0.71 . . . . 0.0 111.093 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -25.53 28.61 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.379 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -75.0 120.4 20.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -136.74 -71.76 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.448 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -84.4 139.55 32.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 0.0 111.129 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.66 141.03 35.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.173 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 29.8 m -55.55 141.96 62.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.612 0.72 . . . . 0.0 111.137 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 167.16 25.26 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.623 2.216 . . . . 0.0 112.358 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.3 t -92.59 -68.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 167.36 161.29 16.38 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 129' ' ' SER . 53.8 Cg_endo -69.73 -38.74 7.46 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.707 2.271 . . . . 0.0 112.325 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.3 t -40.1 95.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.823 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 127' ' ' PRO . 37.3 p -172.75 168.74 5.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.874 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.472 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -67.11 107.65 2.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.851 0.358 . . . . 0.0 110.87 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -124.19 147.81 47.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.9 158.36 8.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -56.33 144.96 28.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.873 0.368 . . . . 0.0 110.891 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.5 t -73.56 113.98 11.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.434 ' CA ' ' HG ' ' A' ' 33' ' ' LEU . . . 146.93 -50.85 0.58 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.594 HD23 ' N ' ' A' ' 9' ' ' VAL . 2.3 tt -105.49 142.75 34.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 110.939 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.594 ' N ' HD23 ' A' ' 8' ' ' LEU . 72.7 t -96.44 -53.54 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -170.38 155.39 5.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -141.8 -175.3 15.14 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.453 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 149.18 148.31 4.72 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -69.43 130.97 43.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.829 0.347 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.524 HD11 ' NE1' ' A' ' 105' ' ' TRP . 88.9 mt -134.59 142.34 46.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.422 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 95.5 m95 -79.71 115.14 19.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.6 ttt-85 -108.17 131.78 54.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.54 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 33.3 tt0 -88.23 143.68 26.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -64.76 177.92 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.7 p -96.13 -41.62 8.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.0 pt -117.01 -24.99 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.191 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.463 ' O ' ' CD ' ' A' ' 23' ' ' ARG . 4.3 mm? -80.42 -21.59 42.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 55.47 27.58 10.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.463 ' CD ' ' O ' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -111.7 141.02 45.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.893 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.54 ' CZ3' ' HB2' ' A' ' 17' ' ' GLN . 95.5 m95 -79.33 153.91 29.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -148.57 141.96 25.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.422 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 44.6 mtm180 -75.58 120.61 21.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -145.82 129.01 16.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.453 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 14.9 t-105 -79.62 129.99 34.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.582 ' CD2' ' HB3' ' A' ' 39' ' ' TYR . 26.0 m-85 -110.59 145.57 37.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.29 127.05 14.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.642 HD12 ' O ' ' A' ' 36' ' ' THR . 66.7 tp -91.63 139.15 30.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -111.07 139.62 46.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.539 ' N ' HD23 ' A' ' 33' ' ' LEU . 2.4 mt -56.28 -23.74 38.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.925 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -58.19 -19.25 31.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.814 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.3 33.57 5.64 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.502 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.642 ' O ' HD12 ' A' ' 31' ' ' LEU . 4.2 p -129.77 170.98 13.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 111.163 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.639 ' HB2' HD11 ' A' ' 54' ' ' ILE . 12.3 tp -134.29 112.36 10.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.28 135.33 11.24 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.528 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.582 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 35.9 p90 -119.24 127.61 53.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.881 0.372 . . . . 0.0 110.927 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.558 ' CD2' ' HA ' ' A' ' 45' ' ' ALA . 1.9 m-85 -109.89 154.9 22.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.943 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -66.35 -53.53 35.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.402 ' CG ' ' OD2' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -77.88 175.2 10.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -65.86 -34.45 78.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.6 p -94.19 174.6 7.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.558 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . . . -94.23 81.15 4.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.105 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -125.13 -49.71 1.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.402 ' OD2' ' CG ' ' A' ' 42' ' ' ASP . 3.9 p30 -91.75 75.56 5.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -56.16 116.06 2.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -94.31 -48.62 6.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 2.5 t70 -171.33 172.11 5.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.415 ' HB2' ' NH1' ' A' ' 51' ' ' ARG . 17.0 ttm105 -152.39 122.09 6.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 31.9 m -110.07 144.44 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.0 t -66.54 145.14 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.639 HD11 ' HB2' ' A' ' 37' ' ' LEU . 28.7 mm -115.94 -39.22 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 56' ' ' PHE . 18.1 t60 -53.72 121.46 7.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 55' ' ' HIS . 4.8 m-85 35.4 43.06 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -121.76 -22.51 5.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.709 HG11 HD11 ' A' ' 61' ' ' ILE . 92.2 t -82.96 99.79 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.139 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.1 tpt85 -66.24 -50.18 64.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -149.58 171.76 16.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.83 HD12 ' HG2' ' A' ' 110' ' ' MET . 97.6 mt -149.34 116.19 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -103.95 144.3 31.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.487 HG22 ' CD1' ' A' ' 82' ' ' LEU . 44.5 t -141.48 129.94 22.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.155 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.21 -132.03 35.97 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.44 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 66' ' ' GLU . 35.9 mm-40 -40.69 -45.7 2.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.752 0.311 . . . . 0.0 110.903 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 65' ' ' GLN . 16.1 mt-10 -38.37 -46.89 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 85.4 m -61.17 175.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.407 ' O ' HG23 ' A' ' 70' ' ' VAL . 2.8 tp-100 -173.42 152.46 2.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 57.53 40.53 26.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.411 HG21 ' NE2' ' A' ' 93' ' ' HIS . 89.4 t -146.46 127.21 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -93.59 123.01 61.35 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.633 0.73 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.656 ' HB3' HD11 ' A' ' 81' ' ' LEU . 53.5 Cg_endo -69.81 157.3 60.74 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.65 2.233 . . . . 0.0 112.343 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.472 ' HG2' ' CG ' ' A' ' 76' ' ' ARG . 53.7 Cg_endo -69.74 145.92 58.71 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.706 2.271 . . . . 0.0 112.333 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -55.07 135.72 48.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.86 -60.11 1.72 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.472 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 5.8 mmp_? -52.35 -172.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.807 0.337 . . . . 0.0 110.891 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.9 m -119.92 159.57 24.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.507 ' O ' HD13 ' A' ' 81' ' ' LEU . 15.3 mtm180 -61.04 -51.05 70.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -45.33 -47.38 13.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -39.2 -36.47 0.57 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.445 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.741 HD12 ' SG ' ' A' ' 95' ' ' CYS . 6.8 mp -38.19 138.42 0.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.838 0.352 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.487 ' CD1' HG22 ' A' ' 63' ' ' VAL . 6.8 tp -154.05 111.84 3.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.436 ' CG2' ' HB2' ' A' ' 91' ' ' ARG . 4.9 m -110.81 114.13 27.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 64.6 t -99.52 128.45 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -93.25 140.21 29.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 69.7 mt -116.5 150.07 38.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -58.82 -46.49 87.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.449 ' C ' ' OE1' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -45.9 -36.68 5.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 115.4 69.42 0.46 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.444 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 27.0 t -171.11 145.93 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.879 0.371 . . . . 0.0 110.866 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.436 ' HB2' ' CG2' ' A' ' 83' ' ' THR . 17.3 ptp180 -107.72 136.52 47.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.1 mt -95.51 107.78 19.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.411 ' NE2' HG21 ' A' ' 70' ' ' VAL . 11.9 m80 -79.18 104.55 9.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.6 mt -132.36 160.17 37.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.741 ' SG ' HD12 ' A' ' 81' ' ' LEU . 36.2 m -141.92 126.96 18.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.437 ' HB3' ' HB2' ' A' ' 102' ' ' ALA . . . -94.7 159.92 14.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -52.49 -59.49 4.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 58.9 p -128.8 174.06 9.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -59.62 -44.12 93.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -52.17 -48.61 64.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -63.22 -46.96 84.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.437 ' HB2' ' HB3' ' A' ' 96' ' ' ALA . . . -58.3 -44.68 88.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 56.3 mt -60.72 -39.18 80.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.73 -41.53 70.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.524 ' NE1' HD11 ' A' ' 14' ' ' LEU . 60.3 m95 -66.88 -42.03 86.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.495 ' HD2' ' CG2' ' A' ' 61' ' ' ILE . 17.7 tptm -50.36 -45.0 54.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.853 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 88.0 m -79.39 -44.09 22.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.178 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.79 -26.36 67.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 40.4 mt -91.29 -51.01 5.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.83 ' HG2' HD12 ' A' ' 61' ' ' ILE . 3.4 mmt -53.46 -38.72 63.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -68.33 -59.96 2.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.5 -34.9 26.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.41 ' O ' ' CD1' ' A' ' 56' ' ' PHE . 1.6 t30 -70.02 -33.84 72.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 80.0 p -124.07 41.14 3.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 87.1 m -157.52 105.01 1.82 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.618 0.723 . . . . 0.0 111.14 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -176.79 1.61 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.716 2.278 . . . . 0.0 112.332 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.28 145.94 28.45 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.607 0.718 . . . . 0.0 111.101 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -10.43 28.51 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.329 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -97.79 165.69 11.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 164.74 84.15 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.43 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -81.73 173.51 12.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.873 0.368 . . . . 0.0 111.058 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 59.1 p -101.33 93.16 5.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 34.2 m -84.86 144.61 42.24 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.658 0.742 . . . . 0.0 111.105 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -171.21 0.45 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.74 2.293 . . . . 0.0 112.38 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 20.7 t -83.46 135.93 34.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.84 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -93.34 146.61 18.2 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.518 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 86.0 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.709 2.273 . . . . 0.0 112.347 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 17.7 m -157.3 125.41 5.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.843 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 66.5 m -42.29 154.64 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.8 p -156.09 125.52 6.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.367 . . . . 0.0 110.895 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -129.59 167.45 17.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 39.63 91.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.463 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.9 t -99.52 -48.19 4.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 110.844 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -89.52 156.81 18.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.33 -55.74 0.55 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.44 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.637 HD23 ' N ' ' A' ' 9' ' ' VAL . 3.2 tt -104.62 135.18 46.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.93 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.702 ' HB ' HD23 ' A' ' 31' ' ' LEU . 90.5 t -94.7 -60.25 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 11' ' ' GLY . 4.5 tpm_? -141.82 150.85 42.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.417 ' N ' ' HG3' ' A' ' 10' ' ' ARG . . . -154.3 134.97 4.51 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.453 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . -176.99 163.02 31.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.458 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -75.81 143.25 41.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.855 0.359 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.766 HD11 ' NE1' ' A' ' 105' ' ' TRP . 81.3 mt -153.81 137.03 15.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.524 ' CH2' ' HD2' ' A' ' 26' ' ' ARG . 98.7 m95 -74.74 130.94 40.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.1 ttp85 -114.62 139.52 49.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -100.09 136.46 39.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.1 t -102.1 166.4 10.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.4 p -99.26 -17.42 18.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.909 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 92.2 mt -108.47 -35.3 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.161 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.2 tp -87.43 -19.83 27.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 42.85 41.92 2.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -146.49 144.52 29.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.523 ' CD1' ' HB3' ' A' ' 73' ' ' PRO . 98.3 m95 -72.74 138.18 46.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.26 135.71 47.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.524 ' HD2' ' CH2' ' A' ' 15' ' ' TRP . 20.1 mtt180 -72.18 131.23 42.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -148.93 145.96 27.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.453 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 14.8 t-105 -98.77 108.18 20.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.55 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 8.3 m-85 -93.39 145.62 24.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.86 133.34 24.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.702 HD23 ' HB ' ' A' ' 9' ' ' VAL . 20.2 tp -99.71 133.88 43.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 69.2 m95 -106.42 150.11 26.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 mt -56.64 -33.66 66.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 36' ' ' THR . 20.1 p30 -53.54 -20.46 5.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.439 ' N ' ' OD1' ' A' ' 34' ' ' ASP . . . 97.21 32.0 6.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.434 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.455 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 72.7 p -121.54 160.72 23.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 111.115 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.59 HD22 HD11 ' A' ' 54' ' ' ILE . 11.6 tp -124.96 107.3 10.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.91 134.32 10.45 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.426 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.443 ' CZ ' ' HB2' ' A' ' 50' ' ' ASP . 18.9 p90 -119.18 131.89 55.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.906 0.384 . . . . 0.0 110.908 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 4.0 m-85 -115.61 162.83 16.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.923 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.44 ' CD2' ' HB2' ' A' ' 47' ' ' ASP . 15.5 m170 -43.86 -47.49 8.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.2 OUTLIER -144.78 167.46 22.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.824 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 42' ' ' ASP . 35.1 tt0 -35.3 -42.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 82.7 p -68.21 88.79 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.134 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.58 88.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -127.73 -50.0 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.44 ' HB2' ' CD2' ' A' ' 41' ' ' HIS . 9.4 m-20 -90.47 79.01 6.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -53.01 106.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -85.15 -50.73 7.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.443 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 9.3 m-20 -170.68 170.57 6.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.3 ttm105 -154.82 123.59 6.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.485 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 27.2 m -109.2 172.02 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.3 t -96.91 136.63 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.59 HD11 HD22 ' A' ' 37' ' ' LEU . 21.6 mm -108.34 -41.82 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 56' ' ' PHE . 11.6 t60 -49.91 118.83 3.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 55' ' ' HIS . 15.4 m-85 37.67 42.2 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.438 HD22 HD22 ' A' ' 86' ' ' LEU . 7.0 t30 -122.66 -15.22 7.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.464 HG11 ' HE2' ' A' ' 110' ' ' MET . 71.6 t -82.44 94.29 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.151 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -64.63 -46.51 82.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -158.98 161.88 36.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.5 mt -141.33 121.83 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.142 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -105.33 130.42 53.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 88.2 t -132.72 136.27 56.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.077 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.03 -131.07 48.28 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.486 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 66' ' ' GLU . 11.9 tt0 -40.58 -48.03 2.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.778 0.323 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 65' ' ' GLN . 15.9 mt-10 -34.46 -39.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.535 ' CB ' HD23 ' A' ' 81' ' ' LEU . 19.8 p -37.09 149.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -131.84 -64.21 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -116.54 46.49 1.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.453 ' CG1' ' HB2' ' A' ' 67' ' ' CYS . 6.0 p -140.55 130.87 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -116.95 138.95 25.18 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.602 0.715 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 151.68 69.19 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.72 2.28 . . . . 0.0 112.335 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.523 ' HB3' ' CD1' ' A' ' 24' ' ' TRP . 54.6 Cg_endo -69.72 -168.73 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.624 2.216 . . . . 0.0 112.378 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -79.64 109.4 14.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 117.59 -48.66 0.92 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -65.16 169.08 5.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.338 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 t -114.0 152.71 30.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 58.1 mtm180 -60.89 -9.53 4.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -84.58 -14.96 47.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -87.36 -17.07 59.47 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.535 HD23 ' CB ' ' A' ' 67' ' ' CYS . 1.2 mp -46.21 143.01 2.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.363 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.9 tp -156.44 118.1 3.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 12.0 m -120.06 135.52 54.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 95.7 t -118.57 129.68 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.174 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -96.93 137.22 36.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.438 HD22 HD22 ' A' ' 57' ' ' ASN . 52.3 mt -113.78 136.87 52.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -48.4 -37.97 18.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.402 ' HG2' ' CB ' ' A' ' 86' ' ' LEU . 9.5 pt-20 -45.87 -38.27 7.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 120.55 33.51 1.01 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.529 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.8 p -143.0 154.49 44.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -112.75 156.44 22.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.3 mt -114.81 106.87 14.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 61.6 m80 -78.42 103.36 8.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.55 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 44.5 mt -126.83 163.67 23.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 30.9 t -149.21 130.63 14.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.3 177.97 5.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -79.54 -44.96 20.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 41.3 p -133.42 168.53 18.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.181 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.4 ptt180 -64.4 -10.76 26.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -85.01 -55.21 4.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.16 -36.72 66.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.29 -62.45 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 58.2 mt -45.76 -44.37 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -46.87 -54.46 9.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.766 ' NE1' HD11 ' A' ' 14' ' ' LEU . 31.2 m95 -59.74 -44.47 93.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -53.49 -41.83 66.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 94.2 m -73.18 -43.51 61.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.59 -25.7 68.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 40.1 mt -88.69 -50.17 6.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.464 ' HE2' HG11 ' A' ' 58' ' ' VAL . 18.4 mmt -57.06 -36.25 70.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -67.98 -65.82 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.948 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -51.4 -41.69 60.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.096 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -54.47 -43.13 71.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.8 t -113.57 40.61 2.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 92.6 m -157.23 105.01 1.87 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.558 0.694 . . . . 0.0 111.16 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 163.57 37.78 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.649 2.233 . . . . 0.0 112.338 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -123.6 131.21 24.28 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.572 0.701 . . . . 0.0 111.148 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -17.74 37.59 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.39 92.76 3.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.09 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -160.83 128.53 1.96 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -130.53 167.77 18.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.904 0.383 . . . . 0.0 111.096 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 90.3 m -81.57 134.73 35.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 84.6 t -148.9 120.65 4.3 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.661 0.743 . . . . 0.0 111.068 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 89.35 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.661 2.241 . . . . 0.0 112.388 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 55.5 m -148.42 125.01 11.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.905 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.63 121.85 27.21 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.527 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 157.92 58.85 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.731 2.288 . . . . 0.0 112.346 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 54.0 p -67.35 163.17 21.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.8 t -128.92 116.11 18.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 t -60.47 128.0 34.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.895 0.378 . . . . 0.0 110.815 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.4 p -39.18 -44.62 1.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.03 -157.82 30.46 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.536 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 m -38.41 134.2 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.861 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 t -112.19 139.35 47.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.14 -36.95 1.01 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.45 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.1 tp -98.12 136.41 38.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.359 . . . . 0.0 110.911 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.589 HG22 ' CD2' ' A' ' 33' ' ' LEU . 41.4 t -95.74 -60.88 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.2 ttt85 -152.46 162.29 41.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -155.45 140.91 7.66 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.517 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.44 129.79 1.46 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.467 ' CH2' ' HA ' ' A' ' 42' ' ' ASP . 48.9 m95 -50.72 136.08 22.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.841 0.353 . . . . 0.0 110.907 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.2 mt -148.95 145.51 27.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.941 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.574 ' CH2' ' HD2' ' A' ' 26' ' ' ARG . 64.4 m95 -73.65 133.21 43.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.5 ttt-85 -120.46 133.79 55.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.523 ' HB2' ' CD2' ' A' ' 24' ' ' TRP . 12.4 tt0 -109.15 156.85 19.35 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.1 t -106.0 -174.96 2.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 88.1 p -102.01 -42.47 6.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.562 HG23 ' N ' ' A' ' 21' ' ' LEU . 19.5 tt -90.07 -48.15 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.131 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.562 ' N ' HG23 ' A' ' 20' ' ' ILE . 58.0 tp -70.03 -18.09 63.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 21' ' ' LEU . 43.6 mtm180 37.14 49.0 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.05 138.55 35.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.595 ' CZ3' ' HB2' ' A' ' 95' ' ' CYS . 78.5 m95 -82.48 149.41 27.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -149.6 138.12 20.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.574 ' HD2' ' CH2' ' A' ' 15' ' ' TRP . 31.3 mtp180 -68.73 128.31 36.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -150.35 148.88 29.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 -85.66 131.1 34.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.55 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 44.4 m-85 -122.78 135.0 54.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.87 139.39 32.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.069 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.7 tp -100.81 152.04 20.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 84.6 m95 -120.05 156.91 30.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.589 ' CD2' HG22 ' A' ' 9' ' ' VAL . 3.1 mt -76.33 -17.5 59.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -83.01 19.74 1.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.35 59.29 10.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.486 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.9 p -150.52 138.52 20.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.825 0.345 . . . . 0.0 111.12 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.643 ' HB2' HD11 ' A' ' 54' ' ' ILE . 19.0 tp -117.9 110.8 18.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.36 141.23 13.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.491 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 50' ' ' ASP . 15.1 p90 -120.75 155.39 34.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.886 0.374 . . . . 0.0 110.96 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 2.3 m-85 -134.73 163.69 29.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.545 ' CE1' ' OD2' ' A' ' 42' ' ' ASP . 2.0 p80 -53.14 -50.04 65.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.844 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.545 ' OD2' ' CE1' ' A' ' 41' ' ' HIS . 19.7 p30 -124.81 179.35 5.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -57.89 -38.72 76.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 46' ' ' GLN . 43.8 p -72.49 88.52 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.186 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.439 ' HB1' ' CE2' ' A' ' 40' ' ' TYR . . . -46.31 91.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.072 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' THR . 36.5 mm-40 -129.73 -46.39 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.963 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.538 ' HB3' ' CD2' ' A' ' 41' ' ' HIS . 9.9 t0 -94.33 80.51 3.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -50.77 92.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -67.73 -48.11 67.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 5.8 t0 -171.22 174.96 4.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -155.91 125.75 6.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.547 HG21 HD11 ' A' ' 92' ' ' LEU . 32.7 m -118.09 171.3 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.12 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.5 t -98.1 135.91 30.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.076 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.643 HD11 ' HB2' ' A' ' 37' ' ' LEU . 36.5 mm -103.77 -40.3 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -60.7 122.47 14.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 42.7 47.51 4.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.426 HD22 HD22 ' A' ' 86' ' ' LEU . 13.3 t30 -130.66 -35.01 1.5 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.8 t -63.31 106.45 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.2 tpt85 -75.97 -44.08 41.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.99 143.41 5.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.444 HD12 ' HG2' ' A' ' 110' ' ' MET . 69.0 mt -120.44 122.2 67.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.086 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -103.93 124.82 49.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.1 t -132.3 129.0 59.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . 59.37 -127.45 44.89 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.476 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 64' ' ' GLY . 58.9 tt0 -35.14 -51.87 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.757 0.313 . . . . 0.0 110.913 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 67' ' ' CYS . 3.6 mm-40 -37.75 -50.55 1.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 66' ' ' GLU . 1.0 OUTLIER -35.07 124.55 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -121.72 -43.55 2.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -124.22 41.45 3.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.411 ' O ' ' SG ' ' A' ' 67' ' ' CYS . 93.9 t -131.33 126.44 58.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.422 ' NE2' ' HE1' ' A' ' 24' ' ' TRP . 4.9 pp0? -111.9 131.06 22.62 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.562 0.696 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.604 ' HB3' HD11 ' A' ' 81' ' ' LEU . 54.1 Cg_endo -69.74 143.85 52.28 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.633 2.222 . . . . 0.0 112.329 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -164.76 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.646 2.231 . . . . 0.0 112.353 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -70.15 127.58 33.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.9 -59.33 3.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.532 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.463 ' NE ' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -46.16 172.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.842 -179.863 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.2 p -131.6 162.67 29.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.9 mtm180 -66.5 -4.21 7.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.51 -21.36 21.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 96' ' ' ALA . . . -99.41 24.59 31.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.604 HD11 ' HB3' ' A' ' 72' ' ' PRO . 5.3 mp -91.93 119.73 31.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.86 0.362 . . . . 0.0 110.938 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.7 tp -129.53 110.87 12.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.0 m -117.63 135.08 54.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.8 t -118.91 132.71 68.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.086 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -97.41 137.9 35.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.426 HD22 HD22 ' A' ' 57' ' ' ASN . 14.0 mt -110.59 143.38 41.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -74.03 -41.72 61.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -41.1 -42.81 2.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 136.89 51.26 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.476 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.7 m -170.96 170.98 6.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 110.927 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -129.75 171.36 12.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.547 HD11 HG21 ' A' ' 52' ' ' VAL . 4.1 mt -131.99 104.51 6.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -86.67 118.51 26.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.55 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 67.5 mt -136.82 159.41 41.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.595 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 37.2 t -147.09 114.36 6.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 80' ' ' GLY . . . -84.39 178.95 7.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -78.09 -42.57 31.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 78.6 p -134.09 164.37 27.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.427 ' HB2' ' NH1' ' A' ' 99' ' ' ARG . 3.9 ptm85 -58.14 -44.76 88.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -48.0 -62.79 1.29 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.97 -45.77 51.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.24 -52.97 61.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.063 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 63.7 mt -55.12 -43.46 70.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.02 -52.12 36.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.063 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -54.44 -46.3 73.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.8 tttm -50.8 -40.47 55.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 33.9 m -70.52 -49.89 43.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.65 -28.85 70.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.076 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 13.1 mt -82.58 -52.46 6.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.444 ' HG2' HD12 ' A' ' 61' ' ' ILE . 12.1 mmt -55.5 -44.12 76.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -64.1 -62.42 1.64 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.81 -32.22 5.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.099 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.06 -37.12 83.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 57.8 m -127.13 62.13 1.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 99.5 m -162.98 105.22 1.02 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.592 0.711 . . . . 0.0 111.183 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -174.64 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.651 2.234 . . . . 0.0 112.322 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -105.69 137.86 19.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.582 0.706 . . . . 0.0 111.117 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -1.93 9.31 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.725 2.283 . . . . 0.0 112.376 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -43.24 119.02 1.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.068 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -125.81 89.81 0.37 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -164.29 151.81 12.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 32.8 p -45.76 104.43 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.186 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 3.0 m -103.29 135.99 19.3 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.63 0.729 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 1.11 4.73 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.668 2.246 . . . . 0.0 112.342 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.9 m 47.9 38.33 8.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 176.19 145.89 5.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.535 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 114.88 3.84 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.707 2.271 . . . . 0.0 112.37 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.2 t -46.13 152.81 0.37 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 14.0 t -88.63 102.56 15.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 m -64.06 144.44 57.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.825 0.345 . . . . 0.0 110.9 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.4 t -121.92 145.86 47.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.8 115.71 3.22 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 m -136.2 172.4 13.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 110.885 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -56.6 155.43 7.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.49 -47.9 3.93 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.532 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.939 HD11 ' HB1' ' A' ' 30' ' ' ALA . 5.9 tp -98.67 133.81 42.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.862 0.363 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.42 HG21 HD23 ' A' ' 31' ' ' LEU . 60.1 t -84.03 -62.56 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.4 ttt85 -148.27 161.09 42.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -142.06 -179.77 19.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.454 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.37 -162.06 28.19 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -123.69 132.39 53.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.8 0.333 . . . . 0.0 110.973 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.0 mt -132.67 139.77 47.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.522 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 95.8 m95 -81.29 119.7 23.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.984 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.457 ' O ' ' CD ' ' A' ' 25' ' ' LYS . 29.9 ttp85 -109.72 129.44 55.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.46 ' NE2' ' NE1' ' A' ' 24' ' ' TRP . 13.3 tt0 -82.27 131.25 35.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.7 t -65.09 174.43 1.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.4 t -100.77 -35.19 9.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.3 mt -114.55 -36.96 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.721 HD13 ' O ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -74.76 -13.36 60.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 179.908 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.9 mtm-85 41.48 54.81 3.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.535 ' HB3' HD12 ' A' ' 21' ' ' LEU . 39.5 ttt180 -144.64 141.26 29.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.46 ' NE1' ' NE2' ' A' ' 17' ' ' GLN . 89.3 m95 -79.83 129.4 34.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.457 ' CD ' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -128.55 147.1 50.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.522 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 55.6 mtm180 -68.5 139.11 55.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -150.31 128.11 11.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 23.6 t-105 -86.01 99.21 11.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.7 ' CE2' ' CD2' ' A' ' 39' ' ' TYR . 47.6 m-85 -90.49 141.38 28.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.852 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.939 ' HB1' HD11 ' A' ' 8' ' ' LEU . . . -144.11 133.73 23.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.104 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.525 HD12 ' O ' ' A' ' 36' ' ' THR . 41.4 tp -100.05 137.37 38.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 73.5 m95 -105.97 151.21 24.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.7 mt -61.25 -19.99 62.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.97 -11.74 61.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.37 42.52 5.5 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.46 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.525 ' O ' HD12 ' A' ' 31' ' ' LEU . 12.3 p -133.04 151.9 52.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.839 0.352 . . . . 0.0 111.115 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.478 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . 11.4 tp -122.95 107.31 11.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.8 136.59 10.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.51 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.7 ' CD2' ' CE2' ' A' ' 29' ' ' PHE . 13.8 p90 -117.89 131.12 56.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.948 0.404 . . . . 0.0 110.903 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.652 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 3.3 m-85 -113.13 173.46 6.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.894 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.499 ' CG ' ' N ' ' A' ' 42' ' ' ASP . 7.9 p80 -60.36 -51.01 71.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.845 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.499 ' N ' ' CG ' ' A' ' 41' ' ' HIS . 4.7 t70 -147.85 -177.55 5.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.821 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 42' ' ' ASP . 17.1 pt-20 -37.62 -39.49 0.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.9 p -73.25 108.3 6.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.164 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.652 ' HB1' ' CE2' ' A' ' 40' ' ' TYR . . . -85.37 51.72 2.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -101.19 -6.09 24.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -129.83 68.68 1.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -52.87 115.11 1.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -82.84 -43.9 16.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . 17.2 m-20 -169.01 174.48 6.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -156.03 127.09 7.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.473 HG21 HD11 ' A' ' 92' ' ' LEU . 23.3 m -123.14 136.66 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.4 t -65.28 143.98 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.478 ' CG1' ' HB2' ' A' ' 37' ' ' LEU . 18.4 mm -113.41 -38.51 2.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.168 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -59.85 120.29 9.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 41.55 40.03 1.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -123.24 -25.65 4.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.458 HG11 HD11 ' A' ' 61' ' ' ILE . 98.4 t -77.62 101.52 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.439 ' NH1' ' CZ ' ' A' ' 87' ' ' ARG . 5.5 tpt180 -66.33 -49.29 67.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -158.06 167.97 28.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.666 HD12 ' HG2' ' A' ' 110' ' ' MET . 75.2 mt -143.07 124.15 11.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -108.94 147.67 31.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.599 HG22 ' CD1' ' A' ' 82' ' ' LEU . 40.0 t -142.65 143.83 25.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.17 -132.7 52.69 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.521 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 66' ' ' GLU . 1.7 mp0 -42.05 -53.21 4.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.733 0.302 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 67' ' ' CYS . 13.0 mt-10 -34.77 -36.96 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 66' ' ' GLU . 17.9 p -34.25 148.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.417 ' CD ' ' O ' ' A' ' 68' ' ' GLN . 1.1 tm0? -77.73 55.91 1.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 46.7 39.21 6.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.813 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.649 HG23 HD23 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -75.56 -179.88 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -110.3 111.39 57.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.541 0.686 . . . . 0.0 110.942 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 143.54 50.98 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.67 2.246 . . . . 0.0 112.319 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 163.05 39.75 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -64.12 141.9 58.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.35 -60.68 2.94 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.508 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -62.69 176.86 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.838 0.351 . . . . 0.0 110.832 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.5 m -118.53 173.31 6.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.6 mtt85 -69.11 -41.83 76.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.77 -12.23 4.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -81.44 -27.9 46.08 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.649 HD23 HG23 ' A' ' 70' ' ' VAL . 3.6 mp -51.51 137.87 23.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.817 0.341 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.599 ' CD1' HG22 ' A' ' 63' ' ' VAL . 6.4 tp -149.26 111.15 4.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.8 m -108.1 128.69 54.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 48.8 t -110.23 134.8 51.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -101.82 136.39 41.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 25.2 mt -113.55 153.64 28.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.439 ' CZ ' ' NH1' ' A' ' 59' ' ' ARG . 17.0 mtp85 -69.6 -40.14 76.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -51.57 -22.72 3.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.64 62.93 0.79 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.4 t -169.79 119.57 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 110.859 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -83.23 156.55 23.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.473 HD11 HG21 ' A' ' 52' ' ' VAL . 10.8 mt -117.46 111.4 19.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.41 ' O ' HD23 ' A' ' 94' ' ' LEU . 48.7 m80 -84.51 112.19 20.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 93' ' ' HIS . 17.7 mt -136.18 172.29 13.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 38.2 t -155.44 128.48 8.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.61 162.88 13.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.06 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -69.31 -37.13 77.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.2 p -141.21 154.25 45.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.194 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.33 -25.68 2.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.31 -63.2 1.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -48.93 -38.32 22.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.81 -57.16 13.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 73.5 mt -55.76 -39.77 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.147 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.16 -52.67 41.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -63.52 -39.62 94.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.603 ' HE3' HG22 ' A' ' 61' ' ' ILE . 11.6 ttmt -57.88 -42.87 85.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 93.1 m -75.37 -43.68 49.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.18 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.18 -29.32 70.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 58.2 mt -86.63 -49.0 7.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.666 ' HG2' HD12 ' A' ' 61' ' ' ILE . 8.5 mmt -54.84 -32.17 60.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.66 -62.88 1.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.87 -35.83 11.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.7 -37.88 89.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 35.1 p -116.84 40.96 2.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 94.0 m -158.06 104.99 1.73 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.566 0.698 . . . . 0.0 111.16 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -178.07 2.17 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.644 2.229 . . . . 0.0 112.354 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -136.33 149.05 66.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.606 0.717 . . . . 0.0 111.111 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -50.27 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.644 2.229 . . . . 0.0 112.344 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.09 175.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -48.66 148.12 4.84 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.42 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -170.75 141.34 1.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.877 0.37 . . . . 0.0 111.104 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 58.1 p -106.69 112.78 25.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.133 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -91.92 143.57 27.94 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.613 0.72 . . . . 0.0 111.144 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 162.21 42.92 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.685 2.257 . . . . 0.0 112.335 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 62.9 m -92.61 -50.8 5.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 136.58 80.18 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.468 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -41.15 4.63 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.657 2.238 . . . . 0.0 112.367 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 23.3 t -126.25 104.06 8.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.816 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 6.9 t -59.42 108.5 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.546 -0.222 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.1 p -108.86 90.16 3.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.929 0.395 . . . . 0.0 110.833 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.9 p -111.26 95.37 5.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.84 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.1 50.89 0.14 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.0 p -135.87 162.18 33.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.905 0.383 . . . . 0.0 110.844 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.2 m -150.68 133.07 15.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.45 ' CA ' ' HG ' ' A' ' 33' ' ' LEU . . . 77.62 -66.54 3.0 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.48 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.88 HD11 ' HB1' ' A' ' 30' ' ' ALA . 32.0 tp -92.55 134.56 34.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.35 . . . . 0.0 110.926 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.519 ' HB ' HD23 ' A' ' 31' ' ' LEU . 61.0 t -94.61 -62.19 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.552 ' HB3' ' CH2' ' A' ' 105' ' ' TRP . 4.4 tpm_? -123.59 153.66 40.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -155.04 105.02 0.26 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -162.77 156.81 28.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 49.9 m95 -79.42 134.57 36.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.847 0.356 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.8 HD11 ' NE1' ' A' ' 105' ' ' TRP . 84.8 mt -136.9 142.2 42.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.564 ' CH2' ' HG3' ' A' ' 26' ' ' ARG . 87.5 m95 -74.87 119.75 19.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.3 ttt-85 -109.0 140.82 42.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -104.67 148.18 26.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.8 t -85.32 167.82 15.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.4 t -82.45 -39.77 22.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.6 mp -103.91 -46.65 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 22' ' ' ARG . 2.6 mm? -72.96 -16.62 61.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 22' ' ' ARG . 13.5 mtp-105 34.38 42.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 -113.25 137.56 51.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.511 ' CD1' ' HB3' ' A' ' 73' ' ' PRO . 97.0 m95 -76.07 131.74 39.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.945 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.8 ptpt -139.21 141.12 37.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.564 ' HG3' ' CH2' ' A' ' 15' ' ' TRP . 15.7 mtp180 -65.77 132.27 48.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -143.15 155.92 44.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -107.37 104.4 13.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.523 ' CE2' ' HB3' ' A' ' 39' ' ' TYR . 37.1 m-85 -100.2 139.97 35.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.88 ' HB1' HD11 ' A' ' 8' ' ' LEU . . . -147.65 130.85 16.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.591 ' O ' HD12 ' A' ' 8' ' ' LEU . 18.3 tp -95.43 143.02 27.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 72.1 m95 -113.48 150.98 32.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.45 ' HG ' ' CA ' ' A' ' 7' ' ' GLY . 3.2 mt -58.0 -34.48 70.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.53 -23.08 3.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.48 35.71 4.58 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.458 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.45 ' O ' HD12 ' A' ' 31' ' ' LEU . 41.5 p -129.17 157.36 42.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.839 0.352 . . . . 0.0 111.141 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.562 HD22 HD11 ' A' ' 54' ' ' ILE . 12.4 tp -123.75 117.23 24.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.45 138.73 13.1 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.523 ' HB3' ' CE2' ' A' ' 29' ' ' PHE . 46.6 p90 -123.68 121.34 35.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.894 0.378 . . . . 0.0 110.91 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.48 ' CD2' ' HA ' ' A' ' 48' ' ' GLU . 3.9 m-85 -105.53 173.7 6.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.877 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -80.9 -43.98 19.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.06 -179.75 3.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 44' ' ' THR . 16.5 tt0 -68.85 -42.04 77.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 43' ' ' GLU . 20.2 p -35.27 -41.19 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.461 ' HA ' ' CG ' ' A' ' 40' ' ' TYR . . . 65.06 38.61 6.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -110.74 -8.3 14.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 48' ' ' GLU . 3.4 t70 -109.65 44.6 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.48 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . 21.6 tt0 -36.95 109.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -75.01 -43.46 53.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -164.56 173.45 12.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -144.53 121.91 11.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 35.7 m -116.01 128.36 73.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.9 t -59.26 143.81 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.562 HD11 HD22 ' A' ' 37' ' ' LEU . 17.4 mm -113.02 -39.74 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.138 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 56' ' ' PHE . 11.4 t-160 -56.55 121.58 10.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.427 ' O ' ' NH2' ' A' ' 87' ' ' ARG . 7.0 m-85 35.81 38.53 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -118.08 -27.3 6.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.568 HG11 HD11 ' A' ' 61' ' ' ILE . 85.2 t -78.11 114.13 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.2 tpt85 -73.72 -50.15 22.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -152.77 174.85 13.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.568 HD11 HG11 ' A' ' 58' ' ' VAL . 70.5 mt -152.95 116.09 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -101.66 126.26 48.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 53.1 t -127.61 130.9 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . 56.19 -130.7 49.78 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 64' ' ' GLY . 0.4 OUTLIER -34.39 -50.78 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.729 0.3 . . . . 0.0 110.901 -179.895 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -41.17 -48.47 3.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.66 106.77 18.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -116.21 -12.8 11.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -93.05 25.32 3.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.4 t -136.59 135.15 49.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -96.1 122.05 59.1 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.562 0.696 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 155.31 66.23 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.701 2.267 . . . . 0.0 112.328 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.511 ' HB3' ' CD1' ' A' ' 24' ' ' TRP . 53.9 Cg_endo -69.75 142.89 49.22 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.614 2.209 . . . . 0.0 112.4 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -54.9 108.67 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 131.68 -56.1 0.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.435 ' HD2' ' N ' ' A' ' 76' ' ' ARG . 8.6 mpt_? -75.02 175.49 8.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.807 0.337 . . . . 0.0 110.873 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 t -102.13 178.57 4.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -83.55 -6.92 59.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -78.98 -6.18 55.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.13 -26.23 22.13 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.461 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.2 mp -42.72 130.67 4.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.858 0.361 . . . . 0.0 110.925 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.1 tp -151.82 110.34 3.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.4 m -116.37 128.74 55.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 81.5 t -110.46 130.79 63.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -98.93 145.1 27.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 45.7 mt -114.22 152.31 31.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.427 ' NH2' ' O ' ' A' ' 56' ' ' PHE . 5.4 ptp180 -76.37 -20.43 57.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -70.31 -44.55 68.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 132.52 57.54 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.495 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.1 t -165.83 132.59 2.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.862 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -101.34 146.02 28.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.4 mt -111.89 104.83 13.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -81.84 113.82 20.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.867 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 88.4 mt -131.78 176.41 8.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.461 ' N ' ' O ' ' A' ' 15' ' ' TRP . 36.5 t -161.89 139.36 8.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -107.8 179.93 4.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.467 ' HG3' HG23 ' A' ' 98' ' ' THR . 15.9 pt-20 -88.43 -44.15 10.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.467 HG23 ' HG3' ' A' ' 97' ' ' GLU . 69.7 p -120.99 173.99 6.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.163 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 21.5 ptt-85 -72.72 -43.06 63.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -52.89 -57.4 10.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -50.5 -49.68 54.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.91 -48.97 74.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.096 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 72.7 mt -61.45 -45.23 99.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -49.52 -51.12 38.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.8 ' NE1' HD11 ' A' ' 14' ' ' LEU . 39.0 m95 -59.44 -44.51 92.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 58.2 tttt -57.14 -39.91 76.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 97.0 m -73.17 -41.64 63.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.84 -26.3 66.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 36.4 mt -86.06 -54.6 4.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.515 ' HG2' HD12 ' A' ' 61' ' ' ILE . 13.2 mmt -51.13 -40.57 58.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.869 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -60.61 -68.56 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.61 -43.98 46.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.092 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.55 -34.19 72.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -120.93 47.77 1.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.811 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.4 ' HA ' ' HD2' ' A' ' 116' ' ' PRO . 99.0 m -160.51 107.82 1.34 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.605 0.717 . . . . 0.0 111.16 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 115' ' ' THR . 54.0 Cg_endo -69.74 -173.26 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.366 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.429 ' N ' ' CD ' ' A' ' 118' ' ' PRO . . . 66.67 54.48 0.84 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.592 0.711 . . . . 0.0 111.13 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.429 ' CD ' ' N ' ' A' ' 117' ' ' ALA . 53.5 Cg_endo -69.79 -8.62 24.07 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.657 2.238 . . . . 0.0 112.377 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.19 167.34 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.498 ' O ' ' HB3' ' A' ' 121' ' ' ALA . . . 165.35 83.63 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.531 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 120' ' ' GLY . . . 71.9 36.38 1.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.826 0.346 . . . . 0.0 111.058 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 11.0 t -145.37 164.7 30.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 33.9 m -64.81 141.09 98.25 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.605 0.717 . . . . 0.0 111.146 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 113.48 3.4 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.626 2.217 . . . . 0.0 112.345 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.6 m -174.96 161.54 2.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -146.77 -173.1 17.71 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.462 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 170.25 17.01 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.683 2.255 . . . . 0.0 112.353 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 22.9 m -84.68 -55.46 4.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.6 t -131.96 93.07 3.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m -146.21 178.15 8.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.0 110.857 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -132.96 114.05 13.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.96 123.03 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.489 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.5 m -63.2 107.32 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.37 . . . . 0.0 110.839 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.1 t -64.53 -50.36 67.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.91 -43.4 1.68 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.46 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.483 HD12 ' CZ3' ' A' ' 32' ' ' TRP . 2.1 tt -101.32 139.35 37.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 110.915 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.409 ' N ' HD23 ' A' ' 8' ' ' LEU . 59.3 t -86.49 -60.86 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.149 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -163.28 165.05 24.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.561 ' HA3' ' CZ2' ' A' ' 28' ' ' TRP . . . -125.36 -159.88 10.49 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 127.66 123.74 2.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 62.4 m95 -65.41 147.72 52.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.816 0.341 . . . . 0.0 110.939 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.537 HD11 ' NE1' ' A' ' 105' ' ' TRP . 39.2 mt -147.6 137.24 22.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.449 ' CH2' ' HD2' ' A' ' 26' ' ' ARG . 93.0 m95 -78.38 119.99 22.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.971 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.7 ttp85 -108.13 137.31 46.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.578 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 26.8 tt0 -101.85 124.27 47.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.964 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.7 t -83.58 168.25 16.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.835 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.2 m -93.95 -40.34 10.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.3 mp -82.73 -49.07 17.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.167 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 22' ' ' ARG . 6.6 tp -80.82 -12.22 59.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 21' ' ' LEU . 1.2 ptp180 34.41 47.82 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -137.51 150.99 47.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.578 ' CZ3' ' HB2' ' A' ' 17' ' ' GLN . 99.2 m95 -82.9 132.77 35.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.36 144.09 50.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.449 ' HD2' ' CH2' ' A' ' 15' ' ' TRP . 27.5 mtt180 -79.29 133.39 36.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -148.62 142.98 26.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.561 ' CZ2' ' HA3' ' A' ' 11' ' ' GLY . 20.8 t-105 -95.58 98.2 10.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.542 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 37.8 m-85 -83.62 115.23 22.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.51 126.84 55.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 36' ' ' THR . 51.9 tp -93.61 136.12 34.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.483 ' CZ3' HD12 ' A' ' 8' ' ' LEU . 62.1 m95 -107.07 146.07 31.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.92 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.43 ' N ' HD23 ' A' ' 33' ' ' LEU . 3.0 mt -57.59 -27.56 62.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -59.11 -16.41 19.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.46 42.06 4.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.478 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.57 ' O ' HD12 ' A' ' 31' ' ' LEU . 25.1 p -135.45 161.13 36.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 0.0 111.14 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.557 HD22 HD11 ' A' ' 54' ' ' ILE . 10.5 tp -127.76 111.22 13.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.53 131.77 7.74 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -113.55 126.83 55.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.888 0.375 . . . . 0.0 110.902 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.453 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 4.9 m-85 -116.25 171.95 7.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -52.77 -62.68 1.49 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.64 -179.61 4.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -45.2 -42.82 9.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.4 p -74.61 106.7 6.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.453 ' HB1' ' CE2' ' A' ' 40' ' ' TYR . . . -65.05 91.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -113.01 -48.94 2.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -106.38 94.19 5.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.83 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -66.11 101.23 0.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -70.63 -46.01 64.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -172.7 172.33 4.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -152.65 122.02 6.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.529 HG21 HD11 ' A' ' 92' ' ' LEU . 26.8 m -113.95 140.11 36.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.8 t -69.5 135.31 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.557 HD11 HD22 ' A' ' 37' ' ' LEU . 13.3 mm -105.3 -43.18 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 56' ' ' PHE . 14.1 t-160 -50.35 121.83 6.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 55' ' ' HIS . 42.4 m-85 36.03 45.9 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -123.39 -24.28 4.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.703 HG11 HD11 ' A' ' 61' ' ' ILE . 60.5 t -80.01 104.06 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.2 tpp85 -72.38 -39.01 68.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.437 ' OD2' ' CG ' ' A' ' 85' ' ' ASN . 2.6 p-10 -162.82 163.46 26.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.803 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.703 HD11 HG11 ' A' ' 58' ' ' VAL . 59.2 mt -147.99 122.96 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.411 ' HB3' ' CB ' ' A' ' 66' ' ' GLU . 19.1 mttm -111.22 150.92 28.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.454 HG22 HD13 ' A' ' 82' ' ' LEU . 95.6 t -141.45 133.75 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.132 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.49 -140.57 35.49 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -41.91 -36.63 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.756 0.313 . . . . 0.0 110.917 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.411 ' CB ' ' HB3' ' A' ' 62' ' ' LYS . 37.5 mt-10 -52.01 -43.45 63.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 83.2 m -58.68 163.89 3.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -58.54 -174.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -82.03 39.72 0.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 44.6 t -69.99 152.58 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -99.12 119.19 61.3 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.567 0.699 . . . . 0.0 110.941 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 147.58 63.61 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.706 2.271 . . . . 0.0 112.343 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 151.56 68.91 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 2.263 . . . . 0.0 112.305 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -38.45 145.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.95 -57.08 4.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.46 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.462 ' HD3' ' N ' ' A' ' 76' ' ' ARG . 0.7 OUTLIER -59.23 167.92 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 -179.85 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 46.3 m -125.33 168.47 13.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.836 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -62.96 -35.57 80.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.806 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.51 -9.94 10.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -87.93 -26.46 29.07 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.544 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.8 mp -48.93 142.15 6.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.847 0.356 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.454 HD13 HG22 ' A' ' 63' ' ' VAL . 10.8 tp -151.94 111.04 3.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 68.7 m -111.38 133.96 53.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.577 HG13 HG12 ' A' ' 61' ' ' ILE . 58.7 t -119.38 139.81 45.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.454 ' ND2' ' HG2' ' A' ' 91' ' ' ARG . 1.5 m-80 -103.14 133.31 48.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 42.0 mt -110.93 142.72 42.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 17.6 mtp85 -51.83 -36.86 49.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -53.19 -30.26 36.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 128.12 -46.31 1.09 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 74.1 m -69.47 154.05 42.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.361 . . . . 0.0 110.879 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.454 ' HG2' ' ND2' ' A' ' 85' ' ' ASN . 62.4 mtt180 -118.02 143.55 46.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.529 HD11 HG21 ' A' ' 52' ' ' VAL . 9.9 mt -87.28 118.49 26.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -99.53 110.31 22.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.542 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 22.0 mt -132.68 174.09 10.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 15' ' ' TRP . 42.1 t -154.2 125.97 7.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.2 174.18 7.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -80.58 -33.64 35.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 81.4 p -131.33 -175.85 3.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -89.21 -14.83 35.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.808 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -80.22 -47.7 14.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.88 -38.45 82.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.73 -55.49 34.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 60.8 mt -53.43 -46.01 58.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.156 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -49.05 -51.18 32.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.107 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.537 ' NE1' HD11 ' A' ' 14' ' ' LEU . 35.9 m95 -60.92 -41.76 96.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -56.19 -42.88 77.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 87.1 m -71.49 -43.09 67.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.07 -29.82 71.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.076 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 40.9 mt -85.36 -52.41 5.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 5.8 mmt -49.74 -44.25 48.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -63.21 -63.32 1.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.17 -38.52 11.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.85 -41.75 98.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.3 t -116.28 41.84 2.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 52.0 m -157.09 104.99 1.9 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.602 0.715 . . . . 0.0 111.125 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -177.16 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.7 2.266 . . . . 0.0 112.37 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -139.38 151.24 66.55 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.605 0.717 . . . . 0.0 111.073 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.84 -12.38 32.63 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.631 2.22 . . . . 0.0 112.381 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.3 166.78 18.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -113.09 -171.78 18.18 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.456 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -94.54 85.83 4.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.831 0.348 . . . . 0.0 111.071 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 25.7 m -122.14 145.25 48.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.2 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 86.5 t -88.66 111.89 46.92 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.598 0.713 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 98.09 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.724 2.283 . . . . 0.0 112.327 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 60.1 p -55.45 158.2 3.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 149.84 -112.19 0.54 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.452 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 156.27 63.81 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.673 2.249 . . . . 0.0 112.343 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 27.9 t -154.4 155.88 35.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 12.2 m -60.21 174.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.521 -179.963 . . . . . . . . 0 0 . 1 stop_ save_