data_2yuo_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 2yuo _Structure_validation_residue.Date_analyzed 2016-10-08 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' ' ' ARG . . . . . . . . . . . . . 28.2 mtm180 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.917 0.389 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -149.03 128.38 12.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.12 138.1 49.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.2 ttpp -91.95 130.07 37.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.83 131.13 41.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.1 mt -89.01 -22.39 23.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.4 pp -153.79 175.46 13.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.41 130.83 35.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -128.81 109.44 11.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.835 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -88.95 101.97 14.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.2 ptt85 -49.61 127.91 16.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -82.92 -43.49 16.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -109.22 149.01 30.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -49.54 -28.8 5.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -73.16 -31.54 64.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.759 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.427 ' HG2' ' NE1' ' A' ' 53' ' ' TRP . 24.5 mt-10 -71.98 138.48 48.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.6 tp -101.57 112.01 24.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.95 172.26 47.64 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.531 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.479 ' CD2' HD13 ' A' ' 32' ' ' ILE . 3.6 p90 -173.9 154.97 2.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.861 0.363 . . . . 0.0 110.86 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -91.27 162.26 14.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -61.76 129.89 43.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.783 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 73.29 34.23 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.66 146.63 27.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 41.5 mm -98.25 126.28 51.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.479 HD13 ' CD2' ' A' ' 26' ' ' PHE . 6.8 mt -128.87 126.5 64.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.08 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 97.1 m -79.16 121.4 24.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.7 mt -77.48 117.34 22.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.187 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.4 mm -91.21 -63.92 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -131.18 111.28 11.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 38' ' ' LYS . 91.3 mt-30 -77.89 83.19 4.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 37' ' ' GLN . 12.3 tptm -35.12 -48.62 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.964 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.532 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 46.8 m-20 -162.69 178.38 8.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -68.56 -2.79 9.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.899 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -115.23 -46.28 2.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.78 122.88 48.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.557 ' CE3' ' HB2' ' A' ' 56' ' ' ALA . 40.8 m0 -118.68 156.2 29.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.9 t -123.34 110.66 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.113 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.53 -170.13 16.59 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.502 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -127.97 133.15 49.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 110.89 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.0 tp -159.86 134.59 7.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 56.65 35.24 25.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.56 23.39 73.71 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.448 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.0 mt -120.61 159.24 25.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.803 0.335 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -141.12 110.84 6.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.809 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -149.34 169.86 29.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.516 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.427 ' NE1' ' HG2' ' A' ' 23' ' ' GLU . 6.2 p-90 -82.05 166.37 19.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.765 0.317 . . . . 0.0 110.937 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.421 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 8.5 p90 -174.99 152.5 1.5 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.593 0.711 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.471 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 53.5 Cg_endo -69.79 113.63 3.44 Favored 'Trans proline' 0 N--CA 1.466 -0.13 0 C-N-CA 122.651 2.234 . . . . 0.0 112.423 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.557 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . . . -52.9 -36.58 59.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 58' ' ' PHE . 13.2 pttm -53.19 -37.07 61.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.471 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 9.7 m-85 -64.53 -27.23 68.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.3 m -117.52 -178.85 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -131.57 142.17 49.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 25.2 t -75.17 155.3 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 66.6 mtt180 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.807 0.337 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.7 mtm180 -143.03 140.19 30.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.796 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.35 146.8 46.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -106.68 128.33 54.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.04 110.95 8.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.8 mt -69.94 -18.17 63.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.976 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -156.53 -175.43 5.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.0 143.78 29.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -136.81 126.09 24.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -108.47 104.12 13.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.401 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 6.2 ptt85 -54.59 119.18 4.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -71.99 -41.37 67.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -104.25 162.27 13.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.6 -36.19 79.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -67.94 -48.57 65.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.512 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 23.4 mt-10 -46.91 141.21 4.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.0 tp -96.65 117.2 30.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.97 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.97 147.32 18.6 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.429 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.546 ' CD1' HD12 ' A' ' 32' ' ' ILE . 4.3 p90 -149.3 174.66 12.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 0.0 110.881 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 53.3 mmt-85 -112.53 168.79 9.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.808 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -64.57 141.71 58.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.992 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 62.47 40.64 10.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -116.08 139.02 50.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.782 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 40.3 mm -92.54 121.9 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.546 HD12 ' CD1' ' A' ' 26' ' ' PHE . 15.3 mt -119.68 127.17 75.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.09 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.483 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 61.5 m -73.62 135.98 43.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.403 ' N ' HG21 ' A' ' 33' ' ' THR . 30.3 mt -94.45 116.55 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.8 mm -92.42 -61.63 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.224 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -133.3 176.42 8.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -133.19 80.59 1.89 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -52.05 -37.25 53.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -151.55 154.81 37.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -58.55 -32.79 69.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -88.17 -34.63 17.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.479 ' SG ' ' CZ3' ' A' ' 53' ' ' TRP . 98.2 m -114.63 120.28 39.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.7 m0 -109.49 168.69 9.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.962 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.2 117.43 52.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -121.57 -170.52 13.91 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.459 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -136.3 123.34 21.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 110.877 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.6 tp -152.65 143.89 23.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 56.54 27.18 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.74 26.49 71.28 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.54 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.8 mt -126.95 151.05 49.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.744 0.307 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.3 mtm180 -128.73 105.53 8.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -143.61 176.54 22.94 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.476 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.512 ' CE2' ' HG2' ' A' ' 23' ' ' GLU . 32.0 p-90 -89.44 165.03 14.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 110.951 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 7.0 p90 -172.48 152.41 2.64 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.655 0.741 . . . . 0.0 110.881 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 126.68 13.6 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.282 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.19 -29.28 67.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -58.97 -23.11 61.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -78.46 -33.72 48.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 m -110.83 -179.1 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -134.04 129.79 36.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 79.2 t -58.97 152.84 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.7 mtt-85 . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.854 0.359 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -142.23 129.82 21.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.948 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -117.44 148.45 41.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.092 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 tmmm? -101.19 125.45 47.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.59 112.97 5.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.9 mt -71.02 -25.59 62.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.417 HD11 ' CE2' ' A' ' 58' ' ' PHE . 1.0 OUTLIER -148.01 179.73 7.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.946 179.865 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.13 135.18 33.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -124.0 131.77 53.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 18' ' ' ARG . 7.5 pt-20 -106.75 87.75 2.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.466 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 32.4 ptt180 -34.48 133.1 0.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -71.99 -47.73 49.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -129.21 166.25 19.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -45.5 -37.5 5.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.02 -48.25 82.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.517 ' OE2' ' CZ2' ' A' ' 53' ' ' TRP . 5.0 mm-40 -58.92 148.48 30.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.0 tp -102.54 114.98 29.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.8 121.33 6.74 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -123.09 168.84 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -111.22 155.22 23.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -53.09 140.18 26.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 63.66 44.25 5.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.767 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -121.56 134.92 55.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 51.1 mm -90.42 121.95 41.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.6 mt -119.12 129.97 74.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.2 m -76.61 114.23 15.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.4 mt -75.67 110.05 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.16 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.4 mm -80.76 -56.57 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -136.78 165.1 26.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.497 ' HG2' ' CD1' ' A' ' 43' ' ' TRP . 74.1 mt-30 -125.54 75.37 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 37' ' ' GLN . 12.9 mtpt -36.05 -42.01 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -164.53 175.94 9.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.17 -6.98 38.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.426 ' CD2' ' N ' ' A' ' 41' ' ' HIS . 3.3 m-70 -114.81 -29.82 6.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -116.51 116.86 28.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.497 ' CD1' ' HG2' ' A' ' 37' ' ' GLN . 33.3 m0 -114.1 159.86 19.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 49.3 t -126.27 119.95 55.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.098 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.15 -178.58 15.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.537 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -132.1 123.42 27.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.846 0.355 . . . . 0.0 110.869 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.3 tp -154.45 144.81 22.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.929 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 56.92 30.46 18.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.43 24.93 75.03 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.439 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.0 mt -123.37 162.27 23.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.858 0.361 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.1 mtp180 -142.13 121.92 13.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -157.14 -167.01 17.63 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.553 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.517 ' CZ2' ' OE2' ' A' ' 23' ' ' GLU . 19.2 p-90 -106.25 163.76 12.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.712 0.291 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 4.5 p90 -173.74 152.58 2.04 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.693 0.758 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.535 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 55.0 Cg_endo -69.68 127.71 15.05 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.656 2.238 . . . . 0.0 112.404 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.427 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . . . -63.24 -42.25 99.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.093 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.5 pttm -45.65 -32.7 2.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.813 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.535 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 10.8 m-85 -69.08 -35.14 76.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.1 m -111.91 -178.83 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -143.5 142.58 31.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.2 t -72.29 152.61 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.834 0.349 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -146.83 129.05 15.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -111.69 144.9 40.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp -100.98 125.27 47.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.93 127.31 32.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.218 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.415 ' C ' HD21 ' A' ' 14' ' ' LEU . 62.5 mt -83.29 -19.66 35.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.415 HD21 ' C ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -156.33 -176.15 5.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 179.844 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -85.84 105.37 16.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.549 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 72.3 t80 -93.39 104.26 16.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -84.05 106.25 15.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.7 ptt-85 -59.84 131.23 50.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.8 t-160 -83.39 -43.51 15.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -113.6 163.44 14.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -56.1 -42.89 77.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.7 -38.97 79.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.463 ' HG2' ' NE1' ' A' ' 53' ' ' TRP . 3.8 mm-40 -64.75 132.6 50.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.6 tp -89.63 112.68 23.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.06 150.28 20.87 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.403 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.549 ' CE1' ' HB3' ' A' ' 16' ' ' PHE . 8.2 p90 -156.04 -176.91 6.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 84.9 mmt-85 -127.31 154.03 45.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.401 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 68.0 tttt -46.11 142.35 2.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.401 ' ND2' ' HG2' ' A' ' 28' ' ' LYS . 3.3 m120 63.34 47.52 3.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -122.92 138.81 54.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 35.4 mm -99.19 124.0 52.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.072 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.436 HD11 ' CD2' ' A' ' 26' ' ' PHE . 17.3 mt -118.34 126.3 74.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.202 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 55.3 m -73.67 107.09 5.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.8 mt -66.23 120.62 13.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.125 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.3 mm -95.25 -57.02 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t -137.17 172.7 12.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.444 ' OE1' ' CG ' ' A' ' 43' ' ' TRP . 8.6 mm-40 -131.72 97.05 4.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -62.97 -54.54 36.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -134.41 176.41 8.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -64.22 -6.52 6.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -129.01 -47.41 1.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.3 t -78.12 100.01 6.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.444 ' CG ' ' OE1' ' A' ' 37' ' ' GLN . 53.5 m0 -108.89 152.86 24.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.02 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.3 t -112.74 108.14 24.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.125 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.95 -176.38 19.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.464 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -128.88 124.47 35.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.843 0.354 . . . . 0.0 110.922 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.2 tp -155.8 134.19 11.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 27.1 m120 62.68 32.88 15.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.1 19.2 73.68 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.511 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.5 mt -122.61 136.19 54.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.719 0.295 . . . . 0.0 110.949 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -121.39 109.15 14.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -149.22 -177.5 23.42 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.463 ' NE1' ' HG2' ' A' ' 23' ' ' GLU . 16.5 p-90 -89.76 167.58 12.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.905 0.383 . . . . 0.0 110.896 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.431 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 8.0 p90 -174.89 152.15 1.5 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.697 0.761 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 103.45 1.16 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.709 2.273 . . . . 0.0 112.354 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.47 -38.92 9.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.18 -38.82 19.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -63.62 -28.52 69.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.795 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.2 m -113.68 177.88 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -128.11 143.25 51.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 59.8 t -76.54 151.59 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.158 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.6 mtm180 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.79 0.328 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.4 mtt85 -150.76 134.22 16.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.43 143.33 45.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -102.05 125.46 48.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.71 124.3 23.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.049 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.5 mt -84.37 -14.72 48.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -158.53 -176.4 5.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.24 141.13 35.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -135.18 123.46 23.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -110.31 90.54 3.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.816 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.423 ' HB3' ' N ' ' A' ' 25' ' ' GLY . 0.3 OUTLIER -39.36 117.44 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -94.08 28.96 2.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -167.83 136.37 2.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -44.19 -32.89 1.37 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -79.96 -43.13 22.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.434 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 33.8 mt-10 -53.18 138.42 31.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.7 tp -96.39 116.86 29.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.949 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.423 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -91.26 160.25 26.87 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.457 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.487 ' CG ' HD13 ' A' ' 32' ' ' ILE . 10.5 p90 -167.73 175.78 6.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 0.0 110.901 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.428 ' C ' ' OD1' ' A' ' 30' ' ' ASP . 13.3 mmm180 -113.72 173.71 6.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -69.17 145.42 53.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.779 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 61.1 37.56 17.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.428 ' OD1' ' C ' ' A' ' 27' ' ' ARG . 3.5 m-20 -113.69 138.63 49.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.1 mm -93.5 128.39 44.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.487 HD13 ' CG ' ' A' ' 26' ' ' PHE . 18.9 mt -125.82 130.54 72.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.08 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.491 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 55.6 m -74.07 135.95 43.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.235 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.1 mt -96.1 117.14 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.4 mm -89.44 -57.55 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -141.63 173.48 11.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -129.25 84.11 2.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -55.88 -43.72 77.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.957 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -142.17 139.82 32.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -40.87 -39.04 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -87.28 -40.49 14.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 62.3 m -99.48 115.49 29.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.489 ' CZ3' ' HB1' ' A' ' 56' ' ' ALA . 53.2 m0 -112.45 159.23 18.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 51.7 t -115.28 115.73 50.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -117.57 -162.31 12.44 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.426 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 33' ' ' THR . 5.4 tt0 -147.46 123.06 10.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 0.0 110.947 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.1 tp -149.83 147.84 28.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 46.75 35.65 3.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.82 31.81 79.35 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.434 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.3 mt -128.97 129.24 45.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.828 0.347 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -114.18 106.82 14.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -147.49 -168.88 14.36 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.402 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.434 ' CE2' ' HG2' ' A' ' 23' ' ' GLU . 17.1 p-90 -101.77 166.5 10.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.841 0.353 . . . . 0.0 110.898 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 6.9 p90 -174.53 151.97 1.63 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.581 0.705 . . . . 0.0 110.915 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 114.06 3.58 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.716 2.277 . . . . 0.0 112.33 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.489 ' HB1' ' CZ3' ' A' ' 43' ' ' TRP . . . -57.13 -34.59 68.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.1 pttt -53.28 -32.0 46.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -69.1 -30.74 69.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.8 m -112.87 176.02 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -128.75 130.01 46.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.1 t -63.5 150.74 9.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.526 ' NE ' ' CG1' ' A' ' 61' ' ' VAL . 17.2 ttt180 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.819 0.343 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.2 mtt-85 -142.23 133.17 25.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -115.58 143.31 45.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -99.66 132.2 45.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.98 105.97 7.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.7 mt -65.85 -18.48 65.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -156.83 171.35 20.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -81.34 135.45 35.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -123.59 137.17 54.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -107.5 100.87 10.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.404 ' HB3' ' N ' ' A' ' 25' ' ' GLY . 16.5 ptt85 -60.08 127.72 33.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.91 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -84.94 -58.79 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.866 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -94.25 159.46 15.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.58 -36.98 67.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -63.49 -28.05 69.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.401 ' CD ' ' CZ2' ' A' ' 53' ' ' TRP . 4.3 mm-40 -75.6 132.62 40.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 36.9 tp -97.68 107.94 20.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.404 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -81.44 157.86 38.91 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.427 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.414 ' CG ' HD11 ' A' ' 32' ' ' ILE . 3.1 p90 -159.32 179.71 8.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.875 0.369 . . . . 0.0 110.836 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -119.66 168.97 10.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -65.6 139.03 58.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 63.48 39.2 9.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -114.44 134.58 54.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.3 mm -87.7 127.82 40.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.096 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.414 HD11 ' CG ' ' A' ' 26' ' ' PHE . 27.1 mt -124.08 124.97 70.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.18 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.489 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 98.6 m -71.38 132.61 45.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 17.9 mt -95.82 112.39 28.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.1 mm -86.52 -63.32 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.176 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -131.59 162.7 29.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -126.84 84.62 2.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -51.82 -52.65 47.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 41' ' ' HIS . 0.2 OUTLIER -136.7 140.18 42.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.855 179.885 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -38.54 -27.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.475 ' N ' ' O ' ' A' ' 39' ' ' ASP . 11.7 m-70 -93.52 -60.48 1.76 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 90.4 m -84.33 112.47 20.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.812 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.426 ' CE3' ' HB2' ' A' ' 56' ' ' ALA . 54.6 m0 -111.19 161.33 16.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.1 t -118.33 117.03 53.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.489 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -120.1 -163.55 12.23 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.501 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -141.25 123.7 15.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.876 0.369 . . . . 0.0 110.952 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.3 tp -153.22 145.56 23.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.951 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 55.61 29.06 12.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.06 23.88 77.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.456 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.2 mt -121.27 163.77 18.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.751 0.31 . . . . 0.0 110.939 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.4 mtm180 -142.32 112.06 6.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -153.87 -170.64 20.1 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.444 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.401 ' CZ2' ' CD ' ' A' ' 23' ' ' GLU . 19.1 p-90 -96.93 163.79 12.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -171.53 151.55 2.97 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.68 0.752 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.94 119.78 6.66 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.628 2.219 . . . . 0.0 112.408 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.426 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . . . -62.64 -35.94 81.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.14 -28.27 10.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.972 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -74.22 -33.7 63.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.811 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.8 m -108.73 177.68 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.111 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -133.61 129.73 37.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.526 ' CG1' ' NE ' ' A' ' 8' ' ' ARG . 42.6 t -63.74 150.48 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.186 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 62.8 mtt-85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.86 0.362 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -143.79 145.91 32.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -127.9 147.6 50.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.104 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.414 ' HD2' ' C ' ' A' ' 11' ' ' LYS . 4.5 tmmm? -100.67 127.48 47.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.73 103.28 2.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.0 mt -63.82 -22.08 66.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -152.01 172.35 16.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.965 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.31 147.08 34.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -135.6 130.51 34.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -106.95 92.98 4.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.441 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 8.4 ptt180 -44.09 120.05 1.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -95.83 26.4 4.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -164.09 141.79 7.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.804 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -49.41 -31.8 10.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -81.18 -43.32 19.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.419 ' CD ' ' CZ2' ' A' ' 53' ' ' TRP . 4.1 mm-40 -49.08 137.98 12.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.1 tp -96.36 111.39 23.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.58 150.52 22.56 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.453 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -150.11 -177.5 5.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.831 0.348 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -127.52 168.02 15.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -60.0 139.35 57.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 62.13 44.1 8.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -119.71 134.29 55.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.805 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.9 mm -92.47 128.56 43.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 17.8 mt -124.61 126.05 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.058 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.486 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 94.4 m -71.84 136.26 46.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.125 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 59.1 mt -96.79 113.18 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.1 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.5 mm -87.25 -63.52 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.119 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -132.57 161.52 33.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -118.69 81.4 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.8 mtmt -47.53 -49.06 27.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -133.8 -175.77 3.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.855 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -78.27 -36.53 46.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -95.17 -35.49 11.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.2 m -97.38 116.62 29.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.547 ' CE3' ' HB2' ' A' ' 56' ' ' ALA . 53.7 m0 -115.37 155.6 27.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.942 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.4 t -113.6 121.63 66.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.486 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -129.58 -169.35 12.52 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.408 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -129.78 138.13 50.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.918 0.39 . . . . 0.0 110.82 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.9 tp -166.62 148.55 6.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 47.02 36.61 4.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.84 29.5 75.19 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.536 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.0 mt -128.68 158.28 38.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.845 0.355 . . . . 0.0 110.844 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.8 mtm105 -141.8 110.86 6.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -154.08 -167.47 16.23 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.419 ' CZ2' ' CD ' ' A' ' 23' ' ' GLU . 12.4 p-90 -96.84 165.71 11.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.803 0.335 . . . . 0.0 110.927 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -172.36 152.54 2.74 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.712 0.768 . . . . 0.0 110.813 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 109.64 2.35 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.679 2.253 . . . . 0.0 112.35 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.547 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . . . -53.83 -35.47 61.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.177 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.62 -34.01 49.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -67.03 -26.99 67.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.0 m -115.62 171.37 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.195 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -126.24 136.08 52.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' A' ' 62' ' ' LEU . 91.5 t -66.86 158.08 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.036 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.408 ' N ' ' CG1' ' A' ' 61' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.781 0.324 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.9 mtm-85 -142.24 136.58 29.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -120.08 146.1 46.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.051 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -98.82 131.38 44.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.09 119.32 19.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.7 mt -77.8 -18.63 56.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -158.11 175.39 13.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.22 133.6 33.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -116.34 130.61 56.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -100.14 101.92 13.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 ptt-85 -70.5 127.73 33.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.573 ' CE1' ' CD ' ' A' ' 23' ' ' GLU . 16.6 p-80 -89.12 -38.47 14.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -106.37 145.2 32.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -46.16 -45.09 16.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.23 -48.02 74.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.573 ' CD ' ' CE1' ' A' ' 19' ' ' HIS . 13.1 mt-10 -55.48 118.7 4.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.5 tp -82.56 110.8 17.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.11 167.67 38.09 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.409 ' CG ' HD12 ' A' ' 32' ' ' ILE . 3.3 p90 -167.12 -177.31 3.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.836 0.351 . . . . 0.0 110.912 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -122.2 164.54 17.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -61.71 141.1 58.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 61.9 47.81 5.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -123.92 144.41 49.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.9 mm -96.13 129.28 46.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.192 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.409 HD12 ' CG ' ' A' ' 26' ' ' PHE . 22.5 mt -126.25 132.77 70.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.478 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 77.2 m -79.73 138.64 37.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.451 ' N ' HG22 ' A' ' 33' ' ' THR . 62.1 mt -98.11 112.77 30.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.3 mm -85.96 -64.58 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.074 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -131.12 164.73 24.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -133.45 102.58 5.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.924 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.466 ' HE2' ' N ' ' A' ' 38' ' ' LYS . 1.0 OUTLIER -74.09 -58.23 3.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -117.53 167.91 10.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -61.86 -31.49 71.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -99.34 -48.52 4.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 73.9 m -79.92 110.98 15.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.7 m0 -117.4 163.84 15.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 99.5 t -120.17 120.64 63.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.478 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -124.01 -171.98 13.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.495 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -135.88 123.14 21.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.926 0.393 . . . . 0.0 110.862 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.7 tp -152.72 152.29 31.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 48.42 31.13 2.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.8 29.15 72.65 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.466 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.7 mt -126.75 158.98 35.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.885 0.374 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 -138.24 118.48 13.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -161.92 -166.15 20.15 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.448 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 7.4 p-90 -102.78 163.86 11.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.847 0.356 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -167.26 150.46 5.99 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.655 0.741 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.77 108.64 2.13 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.665 2.243 . . . . 0.0 112.316 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.8 -28.45 56.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.194 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.6 pttt -57.21 -24.12 52.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -78.01 -32.48 51.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.6 m -109.59 171.29 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -125.48 134.31 52.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.82 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.9 t -68.22 150.96 10.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.8 mtt-85 . . . . . 0 C--O 1.233 0.233 0 CA-C-O 120.807 0.337 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 -145.97 132.94 20.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.838 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.03 141.23 47.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.418 ' HD2' ' C ' ' A' ' 11' ' ' LYS . 4.2 tmmm? -98.67 131.89 44.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.97 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.499 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . . . -73.71 131.47 41.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 66.6 mt -87.58 -28.9 21.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -146.64 -175.53 4.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.424 ' CG ' ' O ' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -84.55 118.04 24.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.874 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -111.4 105.16 13.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -89.28 107.89 19.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.444 ' HB3' ' N ' ' A' ' 25' ' ' GLY . 18.0 ptt-85 -62.02 123.97 19.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.1 p-80 -85.88 -31.55 22.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -114.51 151.2 33.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -51.1 -40.58 58.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.39 -45.83 91.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.452 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 9.8 mt-10 -57.09 138.6 54.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.0 tp -101.01 108.14 19.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.444 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -82.67 158.75 37.54 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.473 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.501 ' CG ' HD13 ' A' ' 32' ' ' ILE . 8.6 p90 -165.2 160.24 18.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.858 0.361 . . . . 0.0 110.898 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -92.12 174.73 7.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -68.37 140.9 55.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 59.81 37.97 21.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.12 129.84 54.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.9 mm -82.99 131.84 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.501 HD13 ' CG ' ' A' ' 26' ' ' PHE . 14.6 mt -130.65 130.35 64.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.457 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 67.7 m -74.88 135.0 41.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.413 ' N ' HG23 ' A' ' 33' ' ' THR . 66.7 mt -95.71 112.44 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.6 mm -87.88 -63.44 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.188 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -135.3 161.59 34.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -118.21 124.84 48.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.3 mttm -90.47 -63.45 1.27 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -128.2 176.23 7.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.788 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -62.96 -38.9 92.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -106.59 20.6 18.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 79.5 m -147.92 108.23 4.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.456 ' CE3' ' HB2' ' A' ' 56' ' ' ALA . 54.1 m0 -119.51 156.67 29.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 93.6 t -112.17 119.69 60.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.457 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -124.55 -167.17 12.6 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -137.23 126.41 24.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.85 0.357 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.3 tp -155.85 150.14 25.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 49.64 29.88 3.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.32 32.54 68.46 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.503 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.7 mt -130.28 164.35 24.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.707 0.289 . . . . 0.0 111.041 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 -142.33 107.9 5.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -150.21 -174.94 21.86 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.452 ' CE2' ' HG2' ' A' ' 23' ' ' GLU . 12.7 p-90 -92.94 168.86 10.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -174.49 152.18 1.67 Allowed Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 121.684 0.754 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 114.93 3.85 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.773 2.316 . . . . 0.0 112.362 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.456 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . . . -53.74 -41.71 67.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.165 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.52 -39.49 34.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -62.15 -26.85 68.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.0 m -116.18 176.37 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.157 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -130.76 131.78 44.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.6 t -69.73 150.17 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.181 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 34.5 mtt180 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.788 0.327 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.9 mtt180 -148.74 133.56 17.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -115.69 164.72 13.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.5 ttpp -117.03 134.89 54.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.814 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.43 119.45 23.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.015 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mt -81.05 -9.68 59.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.965 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -162.31 -179.85 7.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.83 142.84 29.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.944 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -137.25 115.85 12.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -92.29 105.2 17.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.481 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 24.9 ptt-85 -50.89 108.79 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.905 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -59.79 -59.21 5.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -89.2 142.68 27.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -44.97 -32.25 1.57 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.792 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -73.07 -46.12 53.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.77 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -44.15 154.19 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.974 0.416 . . . . 0.0 110.83 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.2 tp -107.29 117.37 33.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.406 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -98.8 138.86 14.12 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.437 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.464 ' CD1' HD11 ' A' ' 32' ' ' ILE . 0.8 OUTLIER -134.28 -178.2 4.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 0.0 110.905 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -123.39 166.69 14.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -61.53 135.77 57.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 63.57 43.24 5.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -118.84 147.22 44.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.956 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.3 mm -97.74 130.71 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.119 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.464 HD11 ' CD1' ' A' ' 26' ' ' PHE . 22.2 mt -126.75 126.29 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.069 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.49 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 93.6 m -70.06 138.97 52.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.6 mt -101.48 110.7 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.144 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.9 mm -87.63 -64.57 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t -127.23 173.4 9.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -132.43 79.42 1.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -44.95 -66.12 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -125.49 156.89 38.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -52.54 -16.71 0.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 -108.23 -50.1 3.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 71.2 m -88.74 117.21 27.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.6 m0 -116.01 154.42 29.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.5 t -113.51 119.57 61.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -125.55 -169.56 12.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.534 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -131.62 132.65 44.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.877 0.37 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.7 tp -167.26 149.06 5.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.3 m120 55.24 25.55 7.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.54 19.84 79.75 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.0 mt -122.42 158.3 30.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.756 0.313 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -136.55 107.45 6.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.58 -169.62 15.59 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.515 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 17.2 p-90 -98.89 162.42 13.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.789 0.328 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -166.36 152.89 8.42 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.667 0.746 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 122.0 8.7 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.381 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.86 -27.98 67.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -63.85 -9.16 13.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -93.19 -23.83 18.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.9 m -120.39 172.82 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.109 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -127.8 130.78 49.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.8 t -68.36 150.45 10.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 82.5 mtt-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.768 0.318 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 67.0 mtt180 -144.95 129.88 18.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.826 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -109.02 141.48 41.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -99.48 125.85 45.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.437 ' HB2' ' CD1' ' A' ' 26' ' ' PHE . . . -68.75 119.95 13.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.051 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.7 mt -78.62 -14.2 59.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -157.51 179.36 9.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -86.21 103.53 14.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.526 ' CB ' ' CE1' ' A' ' 26' ' ' PHE . 25.7 t80 -88.48 124.89 34.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -102.05 100.32 10.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.404 ' HB3' ' N ' ' A' ' 25' ' ' GLY . 9.8 ptt85 -54.18 128.14 29.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -79.69 -44.89 19.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -121.07 158.45 27.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -46.32 -42.24 14.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -55.59 -46.92 77.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.778 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.555 ' OE2' ' CH2' ' A' ' 53' ' ' TRP . 4.2 mm-40 -61.47 137.74 58.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.4 tp -94.84 106.16 18.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.969 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.404 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -81.75 142.35 22.55 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.536 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.526 ' CE1' ' CB ' ' A' ' 16' ' ' PHE . 7.0 p90 -150.95 161.41 42.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.884 0.373 . . . . 0.0 110.868 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.457 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -97.86 -177.25 3.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -70.79 142.89 51.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 55.46 40.29 31.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.19 123.43 48.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.494 ' O ' ' CD1' ' A' ' 47' ' ' LEU . 34.4 mm -77.03 134.63 28.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.179 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.502 HD13 ' CD2' ' A' ' 26' ' ' PHE . 17.8 mt -134.65 128.09 50.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.177 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.492 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 89.0 m -74.61 136.94 42.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.18 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 48.7 mt -96.67 112.6 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 18.8 mm -87.51 -65.04 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.154 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -131.29 163.44 27.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.819 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -118.43 80.72 1.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.896 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -49.15 -52.85 23.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.977 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -130.91 167.28 19.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -63.5 -36.38 83.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.793 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -95.28 -35.19 11.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 78.6 m -96.82 121.7 38.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.511 ' CZ3' ' HB2' ' A' ' 56' ' ' ALA . 53.6 m0 -119.23 153.35 35.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.884 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.7 t -112.4 114.33 46.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.492 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -121.12 -168.73 13.58 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -134.37 131.13 37.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.873 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 31' ' ' ILE . 8.1 tp -153.44 142.77 21.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 44.15 39.82 3.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.53 32.52 83.6 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.422 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 33.2 mt -128.4 131.76 48.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.847 0.356 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.5 mtm-85 -116.8 109.31 16.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.803 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -152.87 -175.55 24.46 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.451 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.555 ' CH2' ' OE2' ' A' ' 23' ' ' GLU . 23.4 p-90 -94.5 167.2 11.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.842 0.353 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.9 p90 -173.43 152.29 2.12 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.608 0.718 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 117.79 5.29 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.704 2.269 . . . . 0.0 112.375 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.511 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . . . -58.95 -37.98 77.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -53.83 -36.06 62.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -63.48 -34.47 77.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.855 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.5 m -108.09 175.3 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.157 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -125.74 135.12 51.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.43 HG12 ' N ' ' A' ' 62' ' ' LEU . 20.0 t -69.7 144.21 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.43 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.969 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.6 mtm-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.84 0.353 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -150.91 130.02 12.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -111.11 159.18 18.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.6 ttpp -112.09 129.7 56.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.85 115.01 12.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.179 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 mt -74.52 -19.04 60.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -153.04 -177.02 6.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.991 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.97 138.89 31.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.784 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.4 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 57.2 t80 -133.71 118.28 17.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 18' ' ' ARG . 8.2 pt-20 -101.49 88.56 3.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' GLU . 17.1 ptt-85 -37.23 127.6 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -86.46 -40.53 15.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -98.6 169.39 9.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -69.47 -37.96 77.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -71.43 -36.86 71.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.816 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -56.59 139.7 49.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.4 tp -98.9 122.61 42.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.78 163.93 24.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.427 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.4 ' CE1' ' HB3' ' A' ' 16' ' ' PHE . 5.6 p90 -169.15 176.15 5.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.898 0.38 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -119.08 160.85 21.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.8 tttt -56.42 142.22 39.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 60.52 47.65 8.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.828 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -123.15 137.96 54.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 49.3 mm -90.76 130.79 39.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.095 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 17.8 mt -127.43 132.72 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.082 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 93.2 m -81.32 128.54 33.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.145 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.8 mt -87.01 120.84 37.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.183 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.0 mm -94.34 -61.99 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.069 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t -139.82 133.38 30.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -102.33 88.79 3.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -53.17 -69.3 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -107.43 172.46 6.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.964 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -63.4 -27.24 69.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -105.93 -47.48 3.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.1 m -80.16 110.14 15.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.443 ' CZ3' ' HB3' ' A' ' 56' ' ' ALA . 54.7 m0 -118.21 161.03 20.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.945 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.7 t -120.28 115.33 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.031 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.75 -159.02 12.31 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.437 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -147.93 123.73 10.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.859 0.361 . . . . 0.0 110.914 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.9 tp -155.82 151.29 27.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 51.62 30.43 6.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.67 23.87 76.52 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.549 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.2 mt -122.27 157.37 31.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.775 0.321 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -138.13 109.42 6.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -151.79 -176.83 24.93 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.524 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 12.4 p-90 -91.73 164.22 13.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.829 0.347 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.408 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 9.5 p90 -171.39 150.5 2.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.75 0.786 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.462 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 53.6 Cg_endo -69.83 106.4 1.67 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.759 2.306 . . . . 0.0 112.259 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.443 ' HB3' ' CZ3' ' A' ' 43' ' ' TRP . . . -51.36 -34.91 36.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.162 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.96 -28.56 6.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.462 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 10.1 m-85 -72.04 -34.36 68.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.883 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.9 m -111.29 177.36 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.113 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -129.14 138.33 51.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.2 t -71.25 158.05 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.858 0.361 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -150.79 127.9 11.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.84 140.41 48.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.104 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -93.69 133.56 36.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.87 131.82 39.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.051 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.2 mt -91.75 -19.73 22.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -154.73 169.6 23.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.982 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.01 129.58 35.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -132.31 116.42 16.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -98.37 98.49 9.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.444 ' HB3' ' N ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -40.29 147.84 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.899 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -105.95 -52.47 2.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -85.33 153.74 22.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -53.63 -26.23 21.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.832 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -84.56 -44.06 13.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.842 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.529 ' CD ' ' CZ2' ' A' ' 53' ' ' TRP . 5.2 mm-40 -48.62 136.02 13.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.4 tp -101.41 124.85 47.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.444 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -98.76 160.83 20.27 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -161.9 177.77 9.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.802 0.334 . . . . 0.0 110.872 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -120.66 166.1 14.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.808 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.9 tttp -60.25 143.33 52.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.438 HD21 ' N ' ' A' ' 29' ' ' ASN . 0.9 OUTLIER 60.43 43.49 13.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.948 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -120.61 141.06 50.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.838 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.9 mm -96.44 136.29 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.3 mt -132.79 126.07 53.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.481 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 91.7 m -73.94 128.69 36.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.2 mt -89.51 117.72 33.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.155 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 18.9 mm -90.61 -64.15 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -135.73 113.86 11.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -82.18 88.36 6.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.5 tttt -41.41 -55.63 2.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.973 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.583 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -148.78 178.89 8.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.844 179.801 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -67.52 -3.65 9.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -117.51 -49.38 2.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.797 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -98.58 117.65 33.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.583 ' CD1' ' O ' ' A' ' 39' ' ' ASP . 53.9 m0 -118.53 152.26 36.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.5 t -117.42 108.2 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.188 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.481 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -118.69 -159.11 11.0 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -144.07 142.64 30.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.925 0.393 . . . . 0.0 110.77 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.6 tp -167.45 136.05 2.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 51.94 38.69 24.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.17 34.52 89.86 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.504 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.4 mt -133.56 126.48 31.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.898 0.38 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 51' ' ' ARG . 8.6 ttp-105 -117.7 121.99 42.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -166.27 -173.35 34.59 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.58 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.529 ' CZ2' ' CD ' ' A' ' 23' ' ' GLU . 10.3 p-90 -92.47 164.96 13.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.876 0.37 . . . . 0.0 110.897 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.5 p90 -173.2 152.69 2.29 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.68 0.752 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 110.78 2.66 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.636 2.224 . . . . 0.0 112.332 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.517 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -52.35 -41.77 63.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.117 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.4 ptmt -45.13 -41.74 8.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -59.12 -33.17 70.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.9 m -113.81 -179.01 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.048 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -135.19 136.52 41.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 77.3 t -67.96 157.59 6.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.4 mtt85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.797 0.332 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -150.13 136.45 18.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.79 146.61 38.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.104 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.87 126.74 52.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.486 ' HB2' ' CD2' ' A' ' 26' ' ' PHE . . . -72.32 114.61 10.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.1 mt -73.25 -18.71 61.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.01 -176.24 5.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.61 150.19 23.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -150.47 124.39 9.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -105.33 97.59 7.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.05 160.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.2 m80 -115.77 -53.27 2.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 22' ' ' ASP . 9.3 t70 -87.01 128.76 35.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.876 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -38.32 -26.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.956 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 20' ' ' ASP . 38.8 m-20 -74.57 -46.14 40.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.515 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 43.2 mt-10 -54.01 157.58 2.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 46.0 tp -119.32 116.72 26.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.09 172.62 32.34 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.531 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.494 ' CD1' HD12 ' A' ' 32' ' ' ILE . 4.9 p90 -170.57 174.38 5.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 0.0 110.98 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -114.86 169.88 8.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.802 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.6 tttt -59.1 141.99 52.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 59.77 47.03 10.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -118.33 126.01 51.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.5 mm -87.09 117.55 31.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.074 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.494 HD12 ' CD1' ' A' ' 26' ' ' PHE . 17.7 mt -116.06 127.03 73.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.2 m -72.3 123.22 22.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 27.5 mt -82.63 121.27 35.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.0 mm -94.99 -56.48 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -143.77 173.87 11.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -133.61 91.99 2.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -59.22 -41.82 89.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -141.66 147.34 37.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -48.16 -36.91 14.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 -89.03 -32.76 17.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.404 ' SG ' ' CZ3' ' A' ' 53' ' ' TRP . 93.5 m -106.75 114.11 28.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 48.8 m0 -108.0 170.19 8.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.1 t -127.73 122.8 59.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.047 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -126.22 -160.17 10.51 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.527 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -146.18 123.71 11.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.6 tp -154.4 143.81 21.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 58.06 29.03 17.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.71 20.34 79.63 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.435 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.7 mt -121.25 150.68 41.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.802 0.334 . . . . 0.0 110.953 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -133.08 112.38 11.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -151.48 -168.98 16.56 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.536 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.515 ' CE2' ' HG2' ' A' ' 23' ' ' GLU . 27.6 p-90 -97.11 165.21 12.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.776 0.322 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 7.4 p90 -174.59 152.4 1.66 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.453 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 53.6 Cg_endo -69.68 118.19 5.53 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.761 2.308 . . . . 0.0 112.349 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.32 -30.3 68.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.086 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.23 -27.57 55.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.453 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 15.3 m-85 -78.56 -18.71 54.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.0 m -121.87 174.97 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -128.15 135.63 50.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.0 t -72.31 145.94 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.79 0.329 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -143.44 133.41 24.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.776 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -117.82 127.77 54.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -86.32 125.95 33.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.837 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.13 132.97 48.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 42.8 mt -85.93 -26.54 25.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -149.22 -176.33 5.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.954 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.42 ' O ' ' CG ' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -80.57 118.76 22.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.825 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.586 ' CB ' ' CE1' ' A' ' 26' ' ' PHE . 68.0 t80 -109.68 111.36 22.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.795 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -93.84 106.29 18.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.447 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 9.8 ptt180 -56.62 120.97 8.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -76.17 -53.31 8.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 21' ' ' ASP . 1.3 m-20 -97.29 142.39 29.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' ASP . 8.9 t70 -38.39 -41.11 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -63.15 -48.33 78.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.447 ' CB ' ' HB2' ' A' ' 18' ' ' ARG . 21.0 mt-10 -44.86 137.79 3.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 47.6 tp -100.12 106.68 18.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.412 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -79.78 169.15 53.05 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.46 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.586 ' CE1' ' CB ' ' A' ' 16' ' ' PHE . 8.3 p90 -173.04 161.13 4.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.895 0.378 . . . . 0.0 110.808 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -92.96 174.98 6.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.892 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.2 tttt -68.97 139.47 55.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 56.34 44.12 25.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -108.72 141.36 40.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 51.3 mm -87.45 129.28 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.504 HD11 ' CG ' ' A' ' 26' ' ' PHE . 17.8 mt -130.8 132.74 63.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.079 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.492 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 52.2 m -78.45 137.38 37.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.448 ' N ' HG23 ' A' ' 33' ' ' THR . 67.2 mt -97.94 110.77 26.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.8 mm -84.38 -61.84 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -140.46 158.49 43.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -109.63 132.87 53.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -99.63 -66.06 0.93 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -126.12 174.01 8.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.829 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -54.72 -49.63 70.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -103.64 27.78 7.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.782 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 43.1 m -146.55 105.62 3.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.463 ' CE3' ' HB1' ' A' ' 56' ' ' ALA . 53.8 m0 -118.09 154.03 32.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.919 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.406 HG12 ' NH1' ' A' ' 51' ' ' ARG . 73.5 t -110.76 115.11 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.492 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -120.05 -170.31 14.31 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.514 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -134.59 123.0 23.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.829 0.347 . . . . 0.0 110.917 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.2 tp -153.15 154.8 35.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.964 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 46.84 34.08 2.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.77 33.43 85.89 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.39 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 44.5 mt -129.13 163.16 26.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.813 0.339 . . . . 0.0 110.962 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.406 ' NH1' HG12 ' A' ' 44' ' ' VAL . 15.7 ttp85 -143.14 106.55 4.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.83 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -152.78 -165.36 13.27 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.42 ' NE1' ' HG2' ' A' ' 23' ' ' GLU . 5.7 p-90 -100.58 167.47 10.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.8 0.333 . . . . 0.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -171.25 150.92 2.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.635 0.731 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 110.43 2.55 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.463 ' HB1' ' CE3' ' A' ' 43' ' ' TRP . . . -53.04 -32.71 48.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.051 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 58' ' ' PHE . 2.5 ptmt -56.0 -30.75 62.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.953 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.453 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 9.8 m-85 -72.8 -26.6 61.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.7 m -114.78 174.54 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -130.17 129.87 44.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.402 ' CG1' ' N ' ' A' ' 62' ' ' LEU . 90.1 t -57.81 157.95 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.402 ' N ' ' CG1' ' A' ' 61' ' ' VAL . 1.1 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.2 mtm-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.838 0.351 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.9 mtm180 -147.54 130.55 16.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -113.23 142.4 45.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.436 ' NZ ' ' OD1' ' A' ' 29' ' ' ASN . 12.7 ttpp -95.02 125.66 39.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.403 ' CB ' ' CD2' ' A' ' 26' ' ' PHE . . . -69.41 135.2 49.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.097 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.0 mt -85.23 -27.28 26.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 pp -147.05 -175.51 4.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.452 ' CG ' ' O ' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -89.02 115.88 26.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.822 179.86 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -109.02 107.29 17.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 18' ' ' ARG . 44.4 mt-10 -88.12 88.92 7.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.442 ' HB3' ' N ' ' A' ' 25' ' ' GLY . 6.0 ptt180 -34.51 121.36 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -74.48 -43.8 54.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -105.75 172.15 6.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.93 -47.06 82.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -57.79 -46.81 84.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.517 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 31.9 mt-10 -53.27 139.31 29.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.94 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.7 tp -99.66 118.73 36.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.442 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -91.97 137.33 13.7 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.451 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.515 ' CG ' HD12 ' A' ' 32' ' ' ILE . 9.3 p90 -143.45 157.17 44.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.464 ' N ' ' HD3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -87.37 175.93 7.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.828 -179.882 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -70.38 134.54 47.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.807 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.436 ' OD1' ' NZ ' ' A' ' 11' ' ' LYS . 27.9 m-20 61.34 42.78 11.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.04 129.33 55.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 22.7 mm -81.86 127.52 39.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.515 HD12 ' CG ' ' A' ' 26' ' ' PHE . 13.0 mt -123.29 143.51 36.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.157 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.47 ' N ' HG21 ' A' ' 32' ' ' ILE . 19.4 m -86.63 111.23 20.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.6 mt -68.17 112.63 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.9 mm -82.43 -59.2 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.8 t -143.37 176.42 9.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -127.92 76.41 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.6 tptt -47.7 -46.85 29.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -140.1 139.16 35.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -41.08 -39.7 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -83.33 -46.69 12.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 98.9 m -99.27 116.95 32.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.545 ' CE3' ' HB1' ' A' ' 56' ' ' ALA . 52.7 m0 -108.19 177.04 4.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.0 t -127.29 130.2 70.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.059 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.28 175.93 20.62 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.426 ' CB ' ' HB3' ' A' ' 51' ' ' ARG . 10.6 tt0 -128.9 152.19 48.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.912 0.387 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.406 ' N ' ' HG2' ' A' ' 46' ' ' GLU . 12.1 tp -170.82 133.3 0.93 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.971 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 55.69 34.4 23.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.44 8.31 85.72 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 mt -125.57 128.81 48.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.824 0.345 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.426 ' HB3' ' CB ' ' A' ' 46' ' ' GLU . 22.0 ptt85 -128.37 159.14 36.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.24 -174.21 46.54 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.541 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.517 ' CE2' ' HG2' ' A' ' 23' ' ' GLU . 16.8 p-90 -84.07 156.2 22.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.922 0.391 . . . . 0.0 110.873 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -171.23 152.33 3.37 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.645 0.735 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.455 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 53.4 Cg_endo -69.82 111.6 2.87 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.545 ' HB1' ' CE3' ' A' ' 43' ' ' TRP . . . -51.49 -38.3 53.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.034 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -50.46 -36.33 32.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.455 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 10.0 m-85 -65.96 -27.99 68.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.777 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.4 m -113.79 173.09 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -127.37 138.57 53.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 64.9 t -70.71 155.39 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.3 mtt85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.876 0.369 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.448 ' HD2' ' CG2' ' A' ' 31' ' ' ILE . 19.4 mtm180 -147.43 142.14 26.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.825 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -126.02 135.8 52.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -87.88 130.82 34.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.74 106.7 6.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.173 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.2 mt -62.07 -33.01 73.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -144.62 174.79 10.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.949 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -80.45 144.34 32.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -142.56 118.13 10.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -99.37 98.01 8.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.63 153.61 0.78 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.822 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -108.44 -51.93 2.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -90.28 141.72 28.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -42.68 -36.55 1.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -68.8 -48.81 62.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.409 ' HG2' ' NE1' ' A' ' 53' ' ' TRP . 40.4 mt-10 -51.2 134.57 27.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.802 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.417 ' CD1' ' HB2' ' A' ' 50' ' ' LEU . 38.9 tp -101.13 123.46 45.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.974 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.08 177.14 28.68 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.413 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.497 ' CG ' HD11 ' A' ' 32' ' ' ILE . 3.3 p90 -173.12 178.79 2.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 110.903 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -116.56 175.77 5.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.0 tttm -71.21 141.57 50.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 60.06 41.97 16.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.83 144.08 44.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.807 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.448 ' CG2' ' HD2' ' A' ' 9' ' ' ARG . 49.4 mm -95.59 124.28 48.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.497 HD11 ' CG ' ' A' ' 26' ' ' PHE . 28.7 mt -122.18 125.29 72.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.165 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.409 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 51.6 m -73.5 132.9 43.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.172 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.3 mt -94.3 111.37 25.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.086 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.7 mm -84.43 -65.4 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -124.05 153.37 41.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -112.97 79.52 1.24 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.447 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 25.5 tptt -39.29 -48.01 1.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.853 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.447 ' CG ' ' O ' ' A' ' 38' ' ' LYS . 31.5 m-20 -167.08 164.32 15.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -53.43 -15.57 1.1 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -101.01 -56.38 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.4 p -98.8 129.01 45.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.57 ' CE3' ' HB2' ' A' ' 56' ' ' ALA . 49.8 m0 -120.47 163.67 17.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 94.1 t -123.54 117.91 52.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -119.6 -166.45 13.33 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -145.82 125.11 13.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.89 0.376 . . . . 0.0 110.843 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 tp -156.79 147.81 21.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 48.26 34.18 4.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.55 31.18 73.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.442 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.417 ' HB2' ' CD1' ' A' ' 24' ' ' LEU . 21.4 mt -130.69 128.5 41.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.781 0.324 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -122.15 106.9 11.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -149.66 -166.49 13.32 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.409 ' NE1' ' HG2' ' A' ' 23' ' ' GLU . 6.2 p-90 -94.94 163.67 13.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.866 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -171.65 152.81 3.24 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.594 0.711 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 111.34 2.8 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.75 2.3 . . . . 0.0 112.283 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.57 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . . . -55.15 -42.6 73.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -43.82 -36.63 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -65.06 -35.89 82.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.42 ' N ' ' O ' ' A' ' 56' ' ' ALA . 13.0 m -107.97 175.33 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -131.02 127.65 38.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.466 HG11 ' N ' ' A' ' 62' ' ' LEU . 80.3 t -61.23 158.99 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.466 ' N ' HG11 ' A' ' 61' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.961 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.775 0.321 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.8 mtm180 -143.82 135.61 26.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.81 142.92 46.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -94.12 131.61 39.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.95 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.98 103.7 8.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.031 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.0 mt -61.75 -33.59 74.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -145.81 172.52 13.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -74.72 138.22 42.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.853 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -126.99 109.15 11.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -89.77 102.96 15.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 ptt180 -64.33 125.78 25.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.823 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -76.45 -47.0 24.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -108.23 143.52 36.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.798 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' ASP . 0.6 OUTLIER -41.6 -55.72 2.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' ASP . 20.6 m-20 -37.21 -53.46 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.82 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.505 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 3.7 mm-40 -55.14 156.51 3.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.1 tp -112.43 108.38 17.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.983 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.35 152.04 26.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.392 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.513 ' CG ' HD13 ' A' ' 32' ' ' ILE . 3.0 p90 -153.9 174.52 14.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.2 mmt85 -113.02 173.52 6.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.789 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -69.96 143.33 52.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.952 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 59.62 42.5 17.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -119.52 142.71 48.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.8 mm -94.14 126.86 46.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.19 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.513 HD13 ' CG ' ' A' ' 26' ' ' PHE . 20.4 mt -124.56 125.79 70.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.471 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 98.9 m -71.19 138.86 49.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.424 ' N ' HG23 ' A' ' 33' ' ' THR . 73.4 mt -99.94 114.45 38.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.6 mm -89.86 -64.07 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.102 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -124.94 160.18 29.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.834 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -135.53 111.0 9.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.404 ' HE2' ' CG2' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -78.4 -46.91 18.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 41' ' ' HIS . 23.2 p-10 -167.73 147.25 4.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.914 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -39.38 -26.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 39' ' ' ASP . 59.6 m170 -69.93 -53.14 19.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.782 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 19.6 m -130.78 135.82 48.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.804 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.44 ' CE3' ' HB2' ' A' ' 56' ' ' ALA . 49.4 m0 -122.56 176.18 6.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.404 ' CG2' ' HE2' ' A' ' 38' ' ' LYS . 92.2 t -125.18 125.31 69.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.471 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -129.73 -168.91 12.42 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.503 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -141.72 126.61 18.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 110.92 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.1 tp -156.31 147.66 22.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 55.64 33.12 20.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.51 31.36 76.41 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.527 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.6 mt -130.04 162.53 28.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.785 0.326 . . . . 0.0 110.996 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -140.11 107.09 5.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.946 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -144.38 -157.84 7.37 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.46 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.505 ' CE2' ' HG2' ' A' ' 23' ' ' GLU . 7.7 p-90 -115.45 169.22 9.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.76 0.314 . . . . 0.0 110.934 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.44 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 4.7 p90 -173.5 152.77 2.18 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.637 0.732 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.69 115.67 4.19 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.621 2.214 . . . . 0.0 112.36 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.44 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . . . -56.32 -38.76 71.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.98 -34.11 19.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -67.74 -32.64 73.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.0 m -110.68 179.19 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -131.79 128.54 39.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.1 t -66.41 146.12 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.099 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.777 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.881 0.372 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.3 mtt85 -146.46 147.7 31.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.468 ' HB2' ' CG2' ' A' ' 59' ' ' VAL . . . -131.54 149.72 52.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.154 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.8 ttpp -97.8 128.8 44.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.68 103.19 4.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.192 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.6 mt -64.31 -23.59 67.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.971 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 15' ' ' ASP . 3.9 pp -152.81 176.01 12.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.498 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 1.2 t0 -82.4 134.26 35.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -120.71 113.51 20.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -90.89 94.16 9.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.407 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 24.6 ptt-85 -43.5 119.11 1.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -88.64 21.74 2.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -162.1 151.92 16.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.3 -26.89 65.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.902 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -86.74 -42.5 13.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -48.94 131.93 18.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.0 tp -89.81 110.63 21.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.72 166.86 29.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.497 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.44 ' CG ' HD13 ' A' ' 32' ' ' ILE . 2.5 p90 -161.89 179.76 7.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.801 0.334 . . . . 0.0 110.898 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -120.97 165.01 15.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.8 tttt -58.14 137.97 56.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 62.34 53.27 2.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -128.35 140.45 51.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.828 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.9 mm -93.47 131.51 40.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.44 HD13 ' CG ' ' A' ' 26' ' ' PHE . 31.8 mt -127.13 136.63 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.451 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 45.1 m -85.14 130.91 34.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.1 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.8 mt -92.74 111.39 24.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.229 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.5 mm -83.79 -64.94 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.027 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t -133.91 113.8 12.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -72.98 79.55 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.0 tttp -41.02 -47.35 3.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.527 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 2.7 p-10 -173.07 153.44 2.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.424 ' O ' ' CD ' ' A' ' 40' ' ' GLU . 11.1 tm-20 -49.97 -23.22 1.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -88.15 -34.14 17.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 82.3 m -137.49 122.46 18.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.567 ' CZ3' ' HB3' ' A' ' 56' ' ' ALA . 44.4 m0 -115.95 155.41 28.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.864 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 89.1 t -115.76 115.07 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.101 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.451 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -119.96 -168.38 13.8 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.566 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -136.31 122.89 20.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 0.0 110.879 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.9 tp -154.99 145.35 22.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 55.94 29.4 14.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.951 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.86 24.69 75.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.454 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.1 mt -124.21 149.39 46.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.791 0.329 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -132.09 116.0 16.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.801 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -153.49 -154.08 6.62 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.563 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 18.9 p-90 -113.47 155.71 24.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.804 0.335 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -166.46 151.57 7.46 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.746 0.784 . . . . 0.0 110.82 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 52.7 Cg_endo -69.77 137.29 35.09 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.711 2.274 . . . . 0.0 112.278 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.567 ' HB3' ' CZ3' ' A' ' 43' ' ' TRP . . . -79.36 -28.96 41.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.076 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.572 ' HE2' ' CE1' ' A' ' 58' ' ' PHE . 0.3 OUTLIER -59.79 -15.09 17.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.572 ' CE1' ' HE2' ' A' ' 57' ' ' LYS . 9.0 m-85 -82.51 -34.92 27.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 10' ' ' ALA . 4.5 m -110.85 176.72 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -126.9 131.7 51.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.818 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 22.0 t -68.59 150.19 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.046 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.851 0.357 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.8 mtm-85 -132.54 133.91 44.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -119.89 128.67 53.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.034 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.413 ' HD2' ' C ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -84.56 134.18 34.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.465 ' HB1' ' CD1' ' A' ' 26' ' ' PHE . . . -71.8 126.3 29.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.1 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.4 mt -82.44 -28.25 31.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -149.85 -178.24 6.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -84.33 119.39 25.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.821 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -116.85 103.71 10.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -87.15 112.58 22.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.31 157.16 38.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -112.15 -51.94 2.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -99.0 144.85 27.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -42.78 -38.38 2.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.93 -42.17 89.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.846 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.513 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 21.7 mt-10 -71.32 138.72 49.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 36.9 tp -108.79 116.28 31.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.39 161.47 27.55 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.476 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.568 ' CD2' HD11 ' A' ' 32' ' ' ILE . 2.9 p90 -160.24 157.55 28.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.715 0.293 . . . . 0.0 110.968 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -91.15 172.01 8.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -66.71 139.44 57.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 61.39 31.96 19.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -102.7 133.53 47.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.6 mm -90.15 131.43 37.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.568 HD11 ' CD2' ' A' ' 26' ' ' PHE . 23.2 mt -127.84 129.94 69.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.19 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.413 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 53.7 m -73.93 134.49 43.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.084 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 60.6 mt -94.22 114.37 30.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.46 HG22 ' CZ ' ' A' ' 51' ' ' ARG . 19.2 mm -85.97 -60.7 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -139.15 145.96 40.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -98.78 78.88 2.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -44.64 -66.4 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -116.31 177.22 4.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.957 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -69.0 -42.52 76.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -92.71 -37.63 12.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.771 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.0 m -94.39 120.98 35.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 52.7 m0 -118.71 160.8 21.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.6 t -114.82 113.77 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.413 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -113.98 -164.39 15.25 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -143.89 123.47 13.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.3 tp -153.92 150.0 27.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 53.15 28.39 6.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.76 28.74 70.32 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.0 mt -127.35 161.79 27.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.797 0.332 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.46 ' CZ ' HG22 ' A' ' 35' ' ' ILE . 24.1 mtt180 -140.05 111.32 7.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.821 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -149.77 -167.48 14.22 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.425 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.513 ' CE2' ' HG2' ' A' ' 23' ' ' GLU . 16.7 p-90 -104.11 159.23 15.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.821 0.343 . . . . 0.0 110.858 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -166.0 152.46 8.61 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.666 0.746 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 115.71 4.21 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.756 2.304 . . . . 0.0 112.363 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.31 -35.93 76.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.052 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.27 -25.5 9.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -77.09 -27.83 54.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.8 m -113.76 169.54 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.136 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -122.61 129.76 52.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.823 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 62.0 t -65.55 148.63 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.103 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.2 p -66.76 167.94 10.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.876 0.369 . . . . 0.0 110.805 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -158.96 157.85 32.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.907 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.09 -131.61 1.53 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.476 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 t -91.83 135.64 33.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.93 0.395 . . . . 0.0 110.891 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -118.92 131.18 56.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.865 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.31 -149.52 17.1 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.407 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.2 mtm180 -111.58 169.7 8.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.917 0.389 . . . . 0.0 110.84 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -149.03 128.38 12.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.12 138.1 49.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.2 ttpp -91.95 130.07 37.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.83 131.13 41.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.1 mt -89.01 -22.39 23.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.4 pp -153.79 175.46 13.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.41 130.83 35.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -128.81 109.44 11.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.835 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -88.95 101.97 14.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.2 ptt85 -49.61 127.91 16.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -82.92 -43.49 16.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -109.22 149.01 30.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -49.54 -28.8 5.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -73.16 -31.54 64.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.759 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.427 ' HG2' ' NE1' ' A' ' 53' ' ' TRP . 24.5 mt-10 -71.98 138.48 48.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.6 tp -101.57 112.01 24.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.95 172.26 47.64 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.531 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.479 ' CD2' HD13 ' A' ' 32' ' ' ILE . 3.6 p90 -173.9 154.97 2.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.861 0.363 . . . . 0.0 110.86 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -91.27 162.26 14.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -61.76 129.89 43.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.783 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 73.29 34.23 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.66 146.63 27.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 41.5 mm -98.25 126.28 51.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.479 HD13 ' CD2' ' A' ' 26' ' ' PHE . 6.8 mt -128.87 126.5 64.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.08 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 97.1 m -79.16 121.4 24.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.7 mt -77.48 117.34 22.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.187 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.4 mm -91.21 -63.92 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -131.18 111.28 11.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 38' ' ' LYS . 91.3 mt-30 -77.89 83.19 4.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 37' ' ' GLN . 12.3 tptm -35.12 -48.62 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.964 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.532 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 46.8 m-20 -162.69 178.38 8.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -68.56 -2.79 9.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.899 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -115.23 -46.28 2.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.78 122.88 48.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.557 ' CE3' ' HB2' ' A' ' 56' ' ' ALA . 40.8 m0 -118.68 156.2 29.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.9 t -123.34 110.66 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.113 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.53 -170.13 16.59 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.502 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -127.97 133.15 49.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 110.89 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.0 tp -159.86 134.59 7.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 56.65 35.24 25.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.56 23.39 73.71 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.448 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.0 mt -120.61 159.24 25.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.803 0.335 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -141.12 110.84 6.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.809 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -149.34 169.86 29.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.516 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.427 ' NE1' ' HG2' ' A' ' 23' ' ' GLU . 6.2 p-90 -82.05 166.37 19.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.765 0.317 . . . . 0.0 110.937 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.421 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 8.5 p90 -174.99 152.5 1.5 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.593 0.711 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.471 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 53.5 Cg_endo -69.79 113.63 3.44 Favored 'Trans proline' 0 N--CA 1.466 -0.13 0 C-N-CA 122.651 2.234 . . . . 0.0 112.423 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.557 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . . . -52.9 -36.58 59.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 58' ' ' PHE . 13.2 pttm -53.19 -37.07 61.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.471 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 9.7 m-85 -64.53 -27.23 68.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.3 m -117.52 -178.85 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -131.57 142.17 49.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 25.2 t -75.17 155.3 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -140.63 116.59 10.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -119.19 78.76 1.32 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.905 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.432 ' CD ' ' C ' ' A' ' 64' ' ' GLU . 0.2 OUTLIER -101.91 162.93 12.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 -179.854 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -133.35 112.31 11.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 67' ' ' LYS . 1.9 t -110.93 171.91 7.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 66' ' ' SER . 7.8 ptmt 34.6 54.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.13 112.63 18.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -130.08 -58.41 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.6 m -44.18 -33.63 1.59 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 42.4 pt -110.89 139.05 36.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.185 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -173.13 164.34 4.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 39.7 m -101.58 159.93 14.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.793 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -146.03 -93.55 0.14 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.592 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 86.65 0.57 Allowed 'Trans proline' 0 C--O 1.23 0.121 0 C-N-CA 122.748 2.299 . . . . 0.0 112.349 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 94.5 p -106.89 111.35 23.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.821 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 92.0 p 45.07 42.35 6.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.465 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.216 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.1 p -102.01 150.0 23.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.855 0.359 . . . . 0.0 110.81 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.1 m -131.52 158.22 41.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.71 58.78 0.31 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.438 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.7 m -60.8 119.7 8.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.802 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.4 p -117.27 132.05 56.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.898 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.79 146.2 5.47 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 66.6 mtt180 -128.18 173.07 10.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.807 0.337 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.7 mtm180 -143.03 140.19 30.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.796 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.35 146.8 46.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -106.68 128.33 54.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.04 110.95 8.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.8 mt -69.94 -18.17 63.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.976 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -156.53 -175.43 5.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.0 143.78 29.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -136.81 126.09 24.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -108.47 104.12 13.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.401 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 6.2 ptt85 -54.59 119.18 4.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -71.99 -41.37 67.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -104.25 162.27 13.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.6 -36.19 79.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -67.94 -48.57 65.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.512 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 23.4 mt-10 -46.91 141.21 4.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.0 tp -96.65 117.2 30.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.97 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.97 147.32 18.6 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.429 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.546 ' CD1' HD12 ' A' ' 32' ' ' ILE . 4.3 p90 -149.3 174.66 12.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 0.0 110.881 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 53.3 mmt-85 -112.53 168.79 9.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.808 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -64.57 141.71 58.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.992 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 62.47 40.64 10.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -116.08 139.02 50.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.782 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 40.3 mm -92.54 121.9 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.546 HD12 ' CD1' ' A' ' 26' ' ' PHE . 15.3 mt -119.68 127.17 75.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.09 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.483 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 61.5 m -73.62 135.98 43.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.403 ' N ' HG21 ' A' ' 33' ' ' THR . 30.3 mt -94.45 116.55 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.8 mm -92.42 -61.63 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.224 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -133.3 176.42 8.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -133.19 80.59 1.89 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -52.05 -37.25 53.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -151.55 154.81 37.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -58.55 -32.79 69.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -88.17 -34.63 17.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.479 ' SG ' ' CZ3' ' A' ' 53' ' ' TRP . 98.2 m -114.63 120.28 39.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.7 m0 -109.49 168.69 9.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.962 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.2 117.43 52.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -121.57 -170.52 13.91 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.459 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -136.3 123.34 21.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 110.877 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.6 tp -152.65 143.89 23.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 56.54 27.18 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.74 26.49 71.28 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.54 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.8 mt -126.95 151.05 49.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.744 0.307 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.3 mtm180 -128.73 105.53 8.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -143.61 176.54 22.94 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.476 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.512 ' CE2' ' HG2' ' A' ' 23' ' ' GLU . 32.0 p-90 -89.44 165.03 14.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 110.951 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 7.0 p90 -172.48 152.41 2.64 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.655 0.741 . . . . 0.0 110.881 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 126.68 13.6 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.282 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.19 -29.28 67.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -58.97 -23.11 61.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -78.46 -33.72 48.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 m -110.83 -179.1 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -134.04 129.79 36.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 79.2 t -58.97 152.84 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.51 115.24 11.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -101.04 113.25 26.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -97.73 -46.81 5.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -88.49 94.98 10.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 67' ' ' LYS . 30.3 t -170.3 107.12 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 66' ' ' SER . 0.1 OUTLIER -36.34 104.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -140.27 151.48 45.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -116.3 98.43 6.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 98.1 p -85.76 -33.1 21.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.3 mt -59.3 -59.88 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.14 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.96 80.74 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.1 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.1 t -151.78 129.67 11.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -107.07 83.47 0.34 Allowed Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.527 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 76' ' ' SER . 53.8 Cg_endo -69.83 2.54 3.48 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.264 . . . . 0.0 112.322 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 75' ' ' PRO . 4.0 m 37.18 54.13 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.0 t -88.43 -54.12 4.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.553 -179.958 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.4 p -69.56 144.88 52.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.808 0.337 . . . . 0.0 110.882 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.7 m -80.23 128.58 33.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.3 -71.65 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.412 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -94.57 -56.52 2.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.858 0.361 . . . . 0.0 110.845 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.6 m -87.0 111.74 21.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.65 86.38 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.7 mtt-85 -126.99 162.36 26.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -142.23 129.82 21.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.948 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -117.44 148.45 41.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.092 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 tmmm? -101.19 125.45 47.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.59 112.97 5.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.9 mt -71.02 -25.59 62.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.417 HD11 ' CE2' ' A' ' 58' ' ' PHE . 1.0 OUTLIER -148.01 179.73 7.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.946 179.865 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.13 135.18 33.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -124.0 131.77 53.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 18' ' ' ARG . 7.5 pt-20 -106.75 87.75 2.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.466 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 32.4 ptt180 -34.48 133.1 0.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -71.99 -47.73 49.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -129.21 166.25 19.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -45.5 -37.5 5.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.02 -48.25 82.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.517 ' OE2' ' CZ2' ' A' ' 53' ' ' TRP . 5.0 mm-40 -58.92 148.48 30.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.0 tp -102.54 114.98 29.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.8 121.33 6.74 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -123.09 168.84 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -111.22 155.22 23.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -53.09 140.18 26.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 63.66 44.25 5.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.767 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -121.56 134.92 55.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 51.1 mm -90.42 121.95 41.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.6 mt -119.12 129.97 74.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.2 m -76.61 114.23 15.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.4 mt -75.67 110.05 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.16 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.4 mm -80.76 -56.57 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -136.78 165.1 26.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.497 ' HG2' ' CD1' ' A' ' 43' ' ' TRP . 74.1 mt-30 -125.54 75.37 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 37' ' ' GLN . 12.9 mtpt -36.05 -42.01 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -164.53 175.94 9.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.17 -6.98 38.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.426 ' CD2' ' N ' ' A' ' 41' ' ' HIS . 3.3 m-70 -114.81 -29.82 6.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -116.51 116.86 28.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.497 ' CD1' ' HG2' ' A' ' 37' ' ' GLN . 33.3 m0 -114.1 159.86 19.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 49.3 t -126.27 119.95 55.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.098 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.15 -178.58 15.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.537 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -132.1 123.42 27.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.846 0.355 . . . . 0.0 110.869 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.3 tp -154.45 144.81 22.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.929 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 56.92 30.46 18.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.43 24.93 75.03 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.439 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.0 mt -123.37 162.27 23.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.858 0.361 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.1 mtp180 -142.13 121.92 13.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -157.14 -167.01 17.63 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.553 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.517 ' CZ2' ' OE2' ' A' ' 23' ' ' GLU . 19.2 p-90 -106.25 163.76 12.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.712 0.291 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 4.5 p90 -173.74 152.58 2.04 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.693 0.758 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.535 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 55.0 Cg_endo -69.68 127.71 15.05 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.656 2.238 . . . . 0.0 112.404 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.427 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . . . -63.24 -42.25 99.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.093 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.5 pttm -45.65 -32.7 2.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.813 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.535 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 10.8 m-85 -69.08 -35.14 76.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.1 m -111.91 -178.83 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -143.5 142.58 31.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.2 t -72.29 152.61 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -136.73 124.6 22.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 64' ' ' GLU . 9.2 p-10 -100.95 36.61 1.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 63' ' ' ASP . 16.7 mm-40 36.51 43.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -99.44 138.9 35.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.811 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 77.4 p -158.18 140.54 14.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.839 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 44.8 tttt -174.83 140.4 0.56 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -138.33 158.64 43.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -128.69 174.8 9.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -78.78 130.81 36.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.7 pt -64.21 137.45 24.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.14 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.99 100.56 11.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 24.3 p -80.56 167.36 20.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -133.73 -158.29 8.59 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.509 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.64 144.31 54.26 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.771 2.314 . . . . 0.0 112.301 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.2 t -87.03 99.63 12.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.5 t -50.01 -49.11 51.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.6 -179.882 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 m -56.99 171.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.85 0.357 . . . . 0.0 110.853 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -111.63 -54.2 2.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.89 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.05 -47.52 2.85 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.522 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.6 m -64.13 149.3 48.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.93 0.395 . . . . 0.0 110.846 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 t -120.51 144.8 47.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.2 91.1 0.11 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.455 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -126.66 175.9 7.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.834 0.349 . . . . 0.0 110.798 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -146.83 129.05 15.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -111.69 144.9 40.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp -100.98 125.27 47.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.93 127.31 32.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.218 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.415 ' C ' HD21 ' A' ' 14' ' ' LEU . 62.5 mt -83.29 -19.66 35.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.415 HD21 ' C ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -156.33 -176.15 5.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 179.844 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -85.84 105.37 16.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.549 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 72.3 t80 -93.39 104.26 16.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -84.05 106.25 15.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.7 ptt-85 -59.84 131.23 50.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.8 t-160 -83.39 -43.51 15.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -113.6 163.44 14.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -56.1 -42.89 77.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.7 -38.97 79.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.463 ' HG2' ' NE1' ' A' ' 53' ' ' TRP . 3.8 mm-40 -64.75 132.6 50.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.6 tp -89.63 112.68 23.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.06 150.28 20.87 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.403 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.549 ' CE1' ' HB3' ' A' ' 16' ' ' PHE . 8.2 p90 -156.04 -176.91 6.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 84.9 mmt-85 -127.31 154.03 45.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.401 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 68.0 tttt -46.11 142.35 2.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.401 ' ND2' ' HG2' ' A' ' 28' ' ' LYS . 3.3 m120 63.34 47.52 3.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -122.92 138.81 54.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 35.4 mm -99.19 124.0 52.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.072 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.436 HD11 ' CD2' ' A' ' 26' ' ' PHE . 17.3 mt -118.34 126.3 74.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.202 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 55.3 m -73.67 107.09 5.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.8 mt -66.23 120.62 13.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.125 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.3 mm -95.25 -57.02 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t -137.17 172.7 12.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.444 ' OE1' ' CG ' ' A' ' 43' ' ' TRP . 8.6 mm-40 -131.72 97.05 4.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -62.97 -54.54 36.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -134.41 176.41 8.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -64.22 -6.52 6.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -129.01 -47.41 1.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.3 t -78.12 100.01 6.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.444 ' CG ' ' OE1' ' A' ' 37' ' ' GLN . 53.5 m0 -108.89 152.86 24.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.02 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.3 t -112.74 108.14 24.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.125 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.95 -176.38 19.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.464 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -128.88 124.47 35.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.843 0.354 . . . . 0.0 110.922 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.2 tp -155.8 134.19 11.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 27.1 m120 62.68 32.88 15.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.1 19.2 73.68 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.511 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.5 mt -122.61 136.19 54.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.719 0.295 . . . . 0.0 110.949 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -121.39 109.15 14.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -149.22 -177.5 23.42 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.463 ' NE1' ' HG2' ' A' ' 23' ' ' GLU . 16.5 p-90 -89.76 167.58 12.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.905 0.383 . . . . 0.0 110.896 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.431 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 8.0 p90 -174.89 152.15 1.5 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.697 0.761 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 103.45 1.16 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.709 2.273 . . . . 0.0 112.354 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.47 -38.92 9.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.18 -38.82 19.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -63.62 -28.52 69.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.795 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.2 m -113.68 177.88 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -128.11 143.25 51.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 59.8 t -76.54 151.59 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.158 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -134.81 115.63 13.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -69.64 143.07 53.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -124.04 -39.68 2.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.433 ' O ' ' CG ' ' A' ' 65' ' ' ARG . 15.8 ptt180 -99.52 113.9 26.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.789 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.6 t -157.36 176.75 12.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.6 pptp? -67.12 162.54 22.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -94.81 130.04 41.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -77.57 100.42 6.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.901 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.2 m -75.3 174.76 9.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 31.8 pt -126.2 167.02 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.198 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 73' ' ' SER . . . -159.77 145.81 15.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 72' ' ' ALA . 45.6 t -35.05 127.24 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -170.91 164.82 37.99 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.429 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 76' ' ' SER . 54.7 Cg_endo -69.76 -0.12 6.45 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.665 2.243 . . . . 0.0 112.417 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 75' ' ' PRO . 17.2 m -35.53 133.43 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.6 p -53.41 -21.17 5.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.455 -179.97 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.5 m -111.01 -55.9 2.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.832 0.348 . . . . 0.0 110.867 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.1 m -64.91 161.44 18.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.23 131.6 2.71 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.551 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.7 p -125.96 171.06 11.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.89 0.376 . . . . 0.0 110.878 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.6 t -39.25 103.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.821 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.7 150.01 9.33 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.441 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.6 mtm180 -115.45 171.76 7.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.79 0.328 . . . . 0.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.4 mtt85 -150.76 134.22 16.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.43 143.33 45.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -102.05 125.46 48.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.71 124.3 23.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.049 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.5 mt -84.37 -14.72 48.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -158.53 -176.4 5.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.24 141.13 35.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -135.18 123.46 23.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -110.31 90.54 3.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.816 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.423 ' HB3' ' N ' ' A' ' 25' ' ' GLY . 0.3 OUTLIER -39.36 117.44 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -94.08 28.96 2.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -167.83 136.37 2.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -44.19 -32.89 1.37 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -79.96 -43.13 22.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.434 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 33.8 mt-10 -53.18 138.42 31.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.7 tp -96.39 116.86 29.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.949 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.423 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -91.26 160.25 26.87 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.457 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.487 ' CG ' HD13 ' A' ' 32' ' ' ILE . 10.5 p90 -167.73 175.78 6.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 0.0 110.901 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.428 ' C ' ' OD1' ' A' ' 30' ' ' ASP . 13.3 mmm180 -113.72 173.71 6.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -69.17 145.42 53.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.779 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 61.1 37.56 17.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.428 ' OD1' ' C ' ' A' ' 27' ' ' ARG . 3.5 m-20 -113.69 138.63 49.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.1 mm -93.5 128.39 44.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.487 HD13 ' CG ' ' A' ' 26' ' ' PHE . 18.9 mt -125.82 130.54 72.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.08 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.491 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 55.6 m -74.07 135.95 43.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.235 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.1 mt -96.1 117.14 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.4 mm -89.44 -57.55 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -141.63 173.48 11.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -129.25 84.11 2.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -55.88 -43.72 77.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.957 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -142.17 139.82 32.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -40.87 -39.04 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -87.28 -40.49 14.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 62.3 m -99.48 115.49 29.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.489 ' CZ3' ' HB1' ' A' ' 56' ' ' ALA . 53.2 m0 -112.45 159.23 18.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 51.7 t -115.28 115.73 50.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -117.57 -162.31 12.44 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.426 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 33' ' ' THR . 5.4 tt0 -147.46 123.06 10.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 0.0 110.947 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.1 tp -149.83 147.84 28.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 46.75 35.65 3.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.82 31.81 79.35 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.434 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.3 mt -128.97 129.24 45.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.828 0.347 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -114.18 106.82 14.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -147.49 -168.88 14.36 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.402 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.434 ' CE2' ' HG2' ' A' ' 23' ' ' GLU . 17.1 p-90 -101.77 166.5 10.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.841 0.353 . . . . 0.0 110.898 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 6.9 p90 -174.53 151.97 1.63 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.581 0.705 . . . . 0.0 110.915 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 114.06 3.58 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.716 2.277 . . . . 0.0 112.33 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.489 ' HB1' ' CZ3' ' A' ' 43' ' ' TRP . . . -57.13 -34.59 68.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.1 pttt -53.28 -32.0 46.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -69.1 -30.74 69.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.8 m -112.87 176.02 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -128.75 130.01 46.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.1 t -63.5 150.74 9.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.91 130.86 38.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -119.89 94.15 4.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -101.89 163.71 12.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.926 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.8 mmt-85 57.67 40.29 26.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.0 t -72.84 -60.04 2.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -115.1 149.99 36.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -121.55 151.94 39.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.841 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -120.94 115.42 23.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.982 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 31.2 p -66.1 129.3 39.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.791 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 18.3 mt -132.12 134.95 59.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.138 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -119.58 165.82 13.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.5 t -104.26 96.76 6.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.956 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 142.56 -80.34 0.25 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.429 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 89.03 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.632 2.221 . . . . 0.0 112.369 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 89.9 p -84.58 176.58 8.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.787 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 78' ' ' GLY . 26.3 t -82.01 158.54 23.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.875 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 77' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.422 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 m -104.55 102.32 11.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 110.832 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.5 p -76.71 -55.38 5.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.06 57.34 5.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.565 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -141.46 119.0 11.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.939 0.4 . . . . 0.0 110.874 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.9 p -83.0 111.45 18.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.803 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.69 136.35 27.61 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.477 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.526 ' NE ' ' CG1' ' A' ' 61' ' ' VAL . 17.2 ttt180 -128.31 170.69 12.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.819 0.343 . . . . 0.0 110.916 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.2 mtt-85 -142.23 133.17 25.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -115.58 143.31 45.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -99.66 132.2 45.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.98 105.97 7.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.7 mt -65.85 -18.48 65.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -156.83 171.35 20.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -81.34 135.45 35.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -123.59 137.17 54.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -107.5 100.87 10.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.404 ' HB3' ' N ' ' A' ' 25' ' ' GLY . 16.5 ptt85 -60.08 127.72 33.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.91 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -84.94 -58.79 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.866 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -94.25 159.46 15.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.58 -36.98 67.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -63.49 -28.05 69.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.401 ' CD ' ' CZ2' ' A' ' 53' ' ' TRP . 4.3 mm-40 -75.6 132.62 40.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 36.9 tp -97.68 107.94 20.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.404 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -81.44 157.86 38.91 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.427 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.414 ' CG ' HD11 ' A' ' 32' ' ' ILE . 3.1 p90 -159.32 179.71 8.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.875 0.369 . . . . 0.0 110.836 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -119.66 168.97 10.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -65.6 139.03 58.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 63.48 39.2 9.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -114.44 134.58 54.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.3 mm -87.7 127.82 40.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.096 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.414 HD11 ' CG ' ' A' ' 26' ' ' PHE . 27.1 mt -124.08 124.97 70.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.18 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.489 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 98.6 m -71.38 132.61 45.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 17.9 mt -95.82 112.39 28.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.1 mm -86.52 -63.32 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.176 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -131.59 162.7 29.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -126.84 84.62 2.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -51.82 -52.65 47.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 41' ' ' HIS . 0.2 OUTLIER -136.7 140.18 42.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.855 179.885 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -38.54 -27.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.475 ' N ' ' O ' ' A' ' 39' ' ' ASP . 11.7 m-70 -93.52 -60.48 1.76 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 90.4 m -84.33 112.47 20.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.812 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.426 ' CE3' ' HB2' ' A' ' 56' ' ' ALA . 54.6 m0 -111.19 161.33 16.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.1 t -118.33 117.03 53.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.489 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -120.1 -163.55 12.23 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.501 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -141.25 123.7 15.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.876 0.369 . . . . 0.0 110.952 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.3 tp -153.22 145.56 23.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.951 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 55.61 29.06 12.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.06 23.88 77.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.456 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.2 mt -121.27 163.77 18.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.751 0.31 . . . . 0.0 110.939 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.4 mtm180 -142.32 112.06 6.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -153.87 -170.64 20.1 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.444 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.401 ' CZ2' ' CD ' ' A' ' 23' ' ' GLU . 19.1 p-90 -96.93 163.79 12.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -171.53 151.55 2.97 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.68 0.752 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.94 119.78 6.66 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.628 2.219 . . . . 0.0 112.408 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.426 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . . . -62.64 -35.94 81.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.14 -28.27 10.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.972 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -74.22 -33.7 63.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.811 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.8 m -108.73 177.68 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.111 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -133.61 129.73 37.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.526 ' CG1' ' NE ' ' A' ' 8' ' ' ARG . 42.6 t -63.74 150.48 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.186 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.49 113.59 11.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -94.99 90.99 6.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.955 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -45.95 149.59 0.65 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -132.08 48.25 2.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 82.6 p -51.67 119.54 4.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.2 tttt -74.66 142.89 44.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -128.23 143.56 51.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -81.5 78.07 8.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.6 m -66.05 167.22 10.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.444 ' N ' HD12 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -113.81 55.91 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.095 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 54.71 46.32 24.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.012 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 87.3 p -105.72 90.11 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.801 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.81 -167.41 52.55 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.4 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 88.72 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.664 2.243 . . . . 0.0 112.41 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 94.4 p -128.51 150.99 49.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.836 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 t 53.89 50.57 16.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.538 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.408 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 m -122.62 169.06 11.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.922 0.391 . . . . 0.0 110.815 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.5 t -103.29 -62.1 1.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.89 170.57 14.72 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 t -73.8 140.05 45.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.897 0.38 . . . . 0.0 110.843 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.9 m -91.82 90.45 7.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.77 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.01 120.47 0.88 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.437 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 62.8 mtt-85 -124.15 169.35 11.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.86 0.362 . . . . 0.0 110.807 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -143.79 145.91 32.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -127.9 147.6 50.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.104 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.414 ' HD2' ' C ' ' A' ' 11' ' ' LYS . 4.5 tmmm? -100.67 127.48 47.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.73 103.28 2.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.0 mt -63.82 -22.08 66.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -152.01 172.35 16.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.965 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.31 147.08 34.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -135.6 130.51 34.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -106.95 92.98 4.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.441 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 8.4 ptt180 -44.09 120.05 1.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -95.83 26.4 4.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -164.09 141.79 7.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.804 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -49.41 -31.8 10.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -81.18 -43.32 19.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.419 ' CD ' ' CZ2' ' A' ' 53' ' ' TRP . 4.1 mm-40 -49.08 137.98 12.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.1 tp -96.36 111.39 23.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.58 150.52 22.56 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.453 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -150.11 -177.5 5.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.831 0.348 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -127.52 168.02 15.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -60.0 139.35 57.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 62.13 44.1 8.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -119.71 134.29 55.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.805 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.9 mm -92.47 128.56 43.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 17.8 mt -124.61 126.05 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.058 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.486 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 94.4 m -71.84 136.26 46.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.125 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 59.1 mt -96.79 113.18 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.1 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.5 mm -87.25 -63.52 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.119 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -132.57 161.52 33.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -118.69 81.4 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.8 mtmt -47.53 -49.06 27.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -133.8 -175.77 3.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.855 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -78.27 -36.53 46.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -95.17 -35.49 11.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.2 m -97.38 116.62 29.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.547 ' CE3' ' HB2' ' A' ' 56' ' ' ALA . 53.7 m0 -115.37 155.6 27.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.942 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.4 t -113.6 121.63 66.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.486 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -129.58 -169.35 12.52 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.408 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -129.78 138.13 50.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.918 0.39 . . . . 0.0 110.82 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.9 tp -166.62 148.55 6.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 47.02 36.61 4.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.84 29.5 75.19 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.536 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.0 mt -128.68 158.28 38.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.845 0.355 . . . . 0.0 110.844 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.8 mtm105 -141.8 110.86 6.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -154.08 -167.47 16.23 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.419 ' CZ2' ' CD ' ' A' ' 23' ' ' GLU . 12.4 p-90 -96.84 165.71 11.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.803 0.335 . . . . 0.0 110.927 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -172.36 152.54 2.74 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.712 0.768 . . . . 0.0 110.813 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 109.64 2.35 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.679 2.253 . . . . 0.0 112.35 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.547 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . . . -53.83 -35.47 61.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.177 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.62 -34.01 49.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -67.03 -26.99 67.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.0 m -115.62 171.37 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.195 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -126.24 136.08 52.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' A' ' 62' ' ' LEU . 91.5 t -66.86 158.08 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.036 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.408 ' N ' ' CG1' ' A' ' 61' ' ' VAL . 0.6 OUTLIER -143.95 122.13 12.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -88.65 31.33 0.84 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 42.67 36.94 0.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.06 -177.95 3.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.3 m 56.94 43.79 24.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -107.69 123.41 48.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.517 ' HG3' ' CE1' ' A' ' 69' ' ' TYR . 9.1 pt-20 -78.63 46.69 0.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.517 ' CE1' ' HG3' ' A' ' 68' ' ' GLU . 5.6 m-85 -137.95 153.01 49.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.6 m -121.19 142.35 49.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 60.2 mt -116.03 115.37 48.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.151 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.74 129.26 55.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.4 m -117.38 153.85 32.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.85 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 175.19 -94.3 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -40.24 5.5 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.752 2.302 . . . . 0.0 112.314 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.3 t -48.67 -54.62 14.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.792 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.1 m -135.69 130.5 34.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.519 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.396 -0.282 . . . . 0.0 112.396 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t 74.4 50.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 0.0 110.892 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -95.23 80.01 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.53 -54.86 25.44 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.497 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.1 p -163.39 163.69 24.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.904 0.383 . . . . 0.0 110.773 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -70.92 -55.33 8.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.842 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.74 157.08 42.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.456 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -133.61 171.15 14.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 0.0 110.899 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.9 mtm-85 -142.24 136.58 29.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -120.08 146.1 46.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.051 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -98.82 131.38 44.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.09 119.32 19.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.7 mt -77.8 -18.63 56.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -158.11 175.39 13.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.22 133.6 33.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -116.34 130.61 56.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -100.14 101.92 13.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 ptt-85 -70.5 127.73 33.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.573 ' CE1' ' CD ' ' A' ' 23' ' ' GLU . 16.6 p-80 -89.12 -38.47 14.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -106.37 145.2 32.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -46.16 -45.09 16.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.23 -48.02 74.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.573 ' CD ' ' CE1' ' A' ' 19' ' ' HIS . 13.1 mt-10 -55.48 118.7 4.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.5 tp -82.56 110.8 17.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.11 167.67 38.09 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.409 ' CG ' HD12 ' A' ' 32' ' ' ILE . 3.3 p90 -167.12 -177.31 3.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.836 0.351 . . . . 0.0 110.912 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -122.2 164.54 17.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -61.71 141.1 58.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 61.9 47.81 5.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -123.92 144.41 49.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.9 mm -96.13 129.28 46.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.192 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.409 HD12 ' CG ' ' A' ' 26' ' ' PHE . 22.5 mt -126.25 132.77 70.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.478 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 77.2 m -79.73 138.64 37.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.451 ' N ' HG22 ' A' ' 33' ' ' THR . 62.1 mt -98.11 112.77 30.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.3 mm -85.96 -64.58 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.074 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -131.12 164.73 24.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -133.45 102.58 5.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.924 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.466 ' HE2' ' N ' ' A' ' 38' ' ' LYS . 1.0 OUTLIER -74.09 -58.23 3.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -117.53 167.91 10.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -61.86 -31.49 71.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -99.34 -48.52 4.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 73.9 m -79.92 110.98 15.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.7 m0 -117.4 163.84 15.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 99.5 t -120.17 120.64 63.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.478 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -124.01 -171.98 13.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.495 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -135.88 123.14 21.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.926 0.393 . . . . 0.0 110.862 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.7 tp -152.72 152.29 31.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 48.42 31.13 2.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.8 29.15 72.65 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.466 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.7 mt -126.75 158.98 35.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.885 0.374 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 -138.24 118.48 13.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -161.92 -166.15 20.15 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.448 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 7.4 p-90 -102.78 163.86 11.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.847 0.356 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -167.26 150.46 5.99 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.655 0.741 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.77 108.64 2.13 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.665 2.243 . . . . 0.0 112.316 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.8 -28.45 56.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.194 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.6 pttt -57.21 -24.12 52.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -78.01 -32.48 51.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.6 m -109.59 171.29 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -125.48 134.31 52.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.82 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.9 t -68.22 150.96 10.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.31 121.65 29.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 64' ' ' GLU . 1.8 m-20 -91.86 34.83 0.98 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.81 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 63' ' ' ASP . 4.7 mm-40 36.8 40.88 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.842 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.5 ttm-85 -104.39 108.48 19.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 t -158.93 167.49 29.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.809 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.443 ' HG2' ' N ' ' A' ' 68' ' ' GLU . 20.8 tttp -137.09 158.6 44.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.443 ' N ' ' HG2' ' A' ' 67' ' ' LYS . 36.0 tt0 -118.62 130.04 55.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -94.3 138.81 31.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.967 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 94.6 p -59.26 142.91 50.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.818 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 42.7 mt -56.76 141.78 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.163 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -90.98 148.79 22.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.094 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.4 t -52.45 127.07 21.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.844 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 148.76 -163.45 29.05 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.469 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 120.88 7.59 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.645 2.23 . . . . 0.0 112.401 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.0 p -39.6 122.05 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.792 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 90.3 p -157.33 135.31 10.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.767 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m 61.72 42.0 11.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.938 0.399 . . . . 0.0 110.878 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.7 m -123.4 107.33 11.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.881 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.57 101.77 0.19 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.5 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.0 m -134.08 147.93 50.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.322 . . . . 0.0 110.888 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.2 m -98.09 43.57 1.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.29 122.62 6.01 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.4 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.8 mtt-85 -126.57 166.42 17.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 -145.97 132.94 20.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.838 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.03 141.23 47.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.418 ' HD2' ' C ' ' A' ' 11' ' ' LYS . 4.2 tmmm? -98.67 131.89 44.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.97 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.499 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . . . -73.71 131.47 41.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 66.6 mt -87.58 -28.9 21.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -146.64 -175.53 4.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.424 ' CG ' ' O ' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -84.55 118.04 24.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.874 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -111.4 105.16 13.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -89.28 107.89 19.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.444 ' HB3' ' N ' ' A' ' 25' ' ' GLY . 18.0 ptt-85 -62.02 123.97 19.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.1 p-80 -85.88 -31.55 22.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -114.51 151.2 33.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -51.1 -40.58 58.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.39 -45.83 91.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.452 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 9.8 mt-10 -57.09 138.6 54.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.0 tp -101.01 108.14 19.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.444 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -82.67 158.75 37.54 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.473 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.501 ' CG ' HD13 ' A' ' 32' ' ' ILE . 8.6 p90 -165.2 160.24 18.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.858 0.361 . . . . 0.0 110.898 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -92.12 174.73 7.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -68.37 140.9 55.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 59.81 37.97 21.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.12 129.84 54.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.9 mm -82.99 131.84 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.501 HD13 ' CG ' ' A' ' 26' ' ' PHE . 14.6 mt -130.65 130.35 64.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.457 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 67.7 m -74.88 135.0 41.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.413 ' N ' HG23 ' A' ' 33' ' ' THR . 66.7 mt -95.71 112.44 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.6 mm -87.88 -63.44 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.188 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -135.3 161.59 34.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -118.21 124.84 48.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.3 mttm -90.47 -63.45 1.27 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -128.2 176.23 7.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.788 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -62.96 -38.9 92.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -106.59 20.6 18.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 79.5 m -147.92 108.23 4.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.456 ' CE3' ' HB2' ' A' ' 56' ' ' ALA . 54.1 m0 -119.51 156.67 29.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 93.6 t -112.17 119.69 60.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.457 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -124.55 -167.17 12.6 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -137.23 126.41 24.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.85 0.357 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.3 tp -155.85 150.14 25.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 49.64 29.88 3.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.32 32.54 68.46 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.503 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.7 mt -130.28 164.35 24.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.707 0.289 . . . . 0.0 111.041 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 -142.33 107.9 5.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -150.21 -174.94 21.86 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.452 ' CE2' ' HG2' ' A' ' 23' ' ' GLU . 12.7 p-90 -92.94 168.86 10.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -174.49 152.18 1.67 Allowed Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 121.684 0.754 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 114.93 3.85 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.773 2.316 . . . . 0.0 112.362 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.456 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . . . -53.74 -41.71 67.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.165 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.52 -39.49 34.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -62.15 -26.85 68.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.0 m -116.18 176.37 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.157 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -130.76 131.78 44.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.6 t -69.73 150.17 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.181 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.22 145.32 51.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -115.97 130.02 56.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.1 mp0 -118.44 -48.07 2.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -41.78 -53.33 3.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.2 t -60.06 -49.58 77.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.6 tttt 61.15 42.0 12.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -59.97 117.41 5.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -67.31 89.18 0.2 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.835 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.5 m -60.86 160.75 9.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 7.9 pt -76.78 169.55 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -162.17 143.52 10.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.058 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.1 m -42.15 126.69 3.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -77.85 -86.35 0.46 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 149.86 67.41 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.31 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.9 t -111.05 145.47 38.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.4 m -121.37 -60.04 1.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.438 -179.932 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -122.37 151.11 41.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.847 0.356 . . . . 0.0 110.852 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.4 m -105.84 123.12 47.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.14 -50.55 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.395 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -121.26 152.81 38.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.882 0.372 . . . . 0.0 110.865 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -78.76 134.78 37.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.96 127.77 6.44 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.521 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 34.5 mtt180 -120.18 170.77 9.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.788 0.327 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.9 mtt180 -148.74 133.56 17.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -115.69 164.72 13.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.5 ttpp -117.03 134.89 54.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.814 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.43 119.45 23.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.015 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 mt -81.05 -9.68 59.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.965 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -162.31 -179.85 7.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.83 142.84 29.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.944 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -137.25 115.85 12.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -92.29 105.2 17.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.481 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 24.9 ptt-85 -50.89 108.79 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.905 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -59.79 -59.21 5.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -89.2 142.68 27.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -44.97 -32.25 1.57 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.792 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -73.07 -46.12 53.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.77 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -44.15 154.19 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.974 0.416 . . . . 0.0 110.83 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.2 tp -107.29 117.37 33.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.406 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -98.8 138.86 14.12 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.437 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.464 ' CD1' HD11 ' A' ' 32' ' ' ILE . 0.8 OUTLIER -134.28 -178.2 4.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 0.0 110.905 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -123.39 166.69 14.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -61.53 135.77 57.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 63.57 43.24 5.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -118.84 147.22 44.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.956 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.3 mm -97.74 130.71 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.119 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.464 HD11 ' CD1' ' A' ' 26' ' ' PHE . 22.2 mt -126.75 126.29 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.069 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.49 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 93.6 m -70.06 138.97 52.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.6 mt -101.48 110.7 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.144 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.9 mm -87.63 -64.57 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t -127.23 173.4 9.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -132.43 79.42 1.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -44.95 -66.12 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -125.49 156.89 38.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -52.54 -16.71 0.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 -108.23 -50.1 3.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 71.2 m -88.74 117.21 27.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.6 m0 -116.01 154.42 29.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.5 t -113.51 119.57 61.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -125.55 -169.56 12.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.534 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -131.62 132.65 44.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.877 0.37 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.7 tp -167.26 149.06 5.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.3 m120 55.24 25.55 7.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.54 19.84 79.75 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.0 mt -122.42 158.3 30.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.756 0.313 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -136.55 107.45 6.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.58 -169.62 15.59 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.515 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 17.2 p-90 -98.89 162.42 13.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.789 0.328 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -166.36 152.89 8.42 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.667 0.746 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 122.0 8.7 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.381 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.86 -27.98 67.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -63.85 -9.16 13.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -93.19 -23.83 18.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.9 m -120.39 172.82 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.109 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -127.8 130.78 49.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.8 t -68.36 150.45 10.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.48 118.54 26.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -96.15 84.25 3.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -71.36 85.32 0.81 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -116.12 129.2 56.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.8 t -130.84 124.14 30.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -150.97 -179.59 7.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -117.98 150.35 39.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -93.76 135.76 34.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.5 t -45.45 164.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.9 mm -47.48 95.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.055 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -103.01 161.23 13.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.171 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.3 t -41.89 -46.07 3.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 160.1 83.46 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.5 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 106.33 1.64 Allowed 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.679 2.253 . . . . 0.0 112.332 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 72.9 m -129.18 168.41 16.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.828 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.5 t -115.86 134.11 55.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.565 179.943 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 m -52.99 -54.33 36.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.935 0.398 . . . . 0.0 110.919 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -57.69 158.72 5.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.61 50.62 0.42 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.481 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.2 p -49.29 169.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 110.897 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.9 m -110.93 117.52 33.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.73 126.35 6.46 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 82.5 mtt-85 -128.2 173.04 10.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.768 0.318 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 67.0 mtt180 -144.95 129.88 18.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.826 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -109.02 141.48 41.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -99.48 125.85 45.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.437 ' HB2' ' CD1' ' A' ' 26' ' ' PHE . . . -68.75 119.95 13.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.051 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.7 mt -78.62 -14.2 59.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -157.51 179.36 9.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -86.21 103.53 14.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.526 ' CB ' ' CE1' ' A' ' 26' ' ' PHE . 25.7 t80 -88.48 124.89 34.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -102.05 100.32 10.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.404 ' HB3' ' N ' ' A' ' 25' ' ' GLY . 9.8 ptt85 -54.18 128.14 29.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -79.69 -44.89 19.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -121.07 158.45 27.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -46.32 -42.24 14.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -55.59 -46.92 77.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.778 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.555 ' OE2' ' CH2' ' A' ' 53' ' ' TRP . 4.2 mm-40 -61.47 137.74 58.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.4 tp -94.84 106.16 18.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.969 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.404 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -81.75 142.35 22.55 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.536 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.526 ' CE1' ' CB ' ' A' ' 16' ' ' PHE . 7.0 p90 -150.95 161.41 42.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.884 0.373 . . . . 0.0 110.868 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.457 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -97.86 -177.25 3.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -70.79 142.89 51.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 55.46 40.29 31.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.19 123.43 48.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.494 ' O ' ' CD1' ' A' ' 47' ' ' LEU . 34.4 mm -77.03 134.63 28.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.179 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.502 HD13 ' CD2' ' A' ' 26' ' ' PHE . 17.8 mt -134.65 128.09 50.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.177 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.492 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 89.0 m -74.61 136.94 42.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.18 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 48.7 mt -96.67 112.6 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 18.8 mm -87.51 -65.04 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.154 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -131.29 163.44 27.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.819 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -118.43 80.72 1.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.896 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -49.15 -52.85 23.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.977 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -130.91 167.28 19.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -63.5 -36.38 83.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.793 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -95.28 -35.19 11.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 78.6 m -96.82 121.7 38.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.511 ' CZ3' ' HB2' ' A' ' 56' ' ' ALA . 53.6 m0 -119.23 153.35 35.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.884 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.7 t -112.4 114.33 46.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.492 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -121.12 -168.73 13.58 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -134.37 131.13 37.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.873 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 31' ' ' ILE . 8.1 tp -153.44 142.77 21.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 44.15 39.82 3.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.53 32.52 83.6 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.422 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 33.2 mt -128.4 131.76 48.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.847 0.356 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.5 mtm-85 -116.8 109.31 16.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.803 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -152.87 -175.55 24.46 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.451 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.555 ' CH2' ' OE2' ' A' ' 23' ' ' GLU . 23.4 p-90 -94.5 167.2 11.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.842 0.353 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.9 p90 -173.43 152.29 2.12 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.608 0.718 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 117.79 5.29 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.704 2.269 . . . . 0.0 112.375 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.511 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . . . -58.95 -37.98 77.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -53.83 -36.06 62.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -63.48 -34.47 77.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.855 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.5 m -108.09 175.3 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.157 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -125.74 135.12 51.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.43 HG12 ' N ' ' A' ' 62' ' ' LEU . 20.0 t -69.7 144.21 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.43 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -128.91 142.26 51.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.969 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.85 144.8 25.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -126.39 117.18 22.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.4 mmm-85 -117.1 151.27 37.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.0 t -172.06 168.59 5.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.808 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.408 ' HD2' ' C ' ' A' ' 67' ' ' LYS . 3.8 tmmm? -110.05 -61.84 1.6 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.837 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -39.28 121.98 1.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.966 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -80.63 129.57 34.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.91 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 75.4 p -82.78 171.6 13.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 15.7 pt -125.39 139.0 52.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.162 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -170.02 145.69 2.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.044 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.1 t -151.73 156.02 39.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -173.66 82.98 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.519 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 125.82 12.63 Favored 'Trans proline' 0 C--N 1.34 0.12 0 C-N-CA 122.679 2.253 . . . . 0.0 112.335 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.1 m -129.19 173.6 10.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 36.1 t -127.55 100.14 5.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.867 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.41 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.562 179.946 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t -98.94 135.38 40.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.838 0.351 . . . . 0.0 110.796 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m -137.71 109.61 7.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.6 110.75 0.95 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.489 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -80.91 107.1 13.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.351 . . . . 0.0 110.867 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.6 m 60.86 40.99 15.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.71 168.88 15.53 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.521 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.6 mtm-85 -110.19 170.07 8.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.353 . . . . 0.0 110.876 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -150.91 130.02 12.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -111.11 159.18 18.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.6 ttpp -112.09 129.7 56.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.85 115.01 12.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.179 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 mt -74.52 -19.04 60.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -153.04 -177.02 6.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.991 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.97 138.89 31.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.784 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.4 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 57.2 t80 -133.71 118.28 17.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 18' ' ' ARG . 8.2 pt-20 -101.49 88.56 3.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' GLU . 17.1 ptt-85 -37.23 127.6 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -86.46 -40.53 15.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -98.6 169.39 9.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -69.47 -37.96 77.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -71.43 -36.86 71.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.816 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -56.59 139.7 49.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.4 tp -98.9 122.61 42.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.78 163.93 24.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.427 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.4 ' CE1' ' HB3' ' A' ' 16' ' ' PHE . 5.6 p90 -169.15 176.15 5.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.898 0.38 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -119.08 160.85 21.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.8 tttt -56.42 142.22 39.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 60.52 47.65 8.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.828 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -123.15 137.96 54.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 49.3 mm -90.76 130.79 39.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.095 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 17.8 mt -127.43 132.72 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.082 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 93.2 m -81.32 128.54 33.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.145 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.8 mt -87.01 120.84 37.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.183 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.0 mm -94.34 -61.99 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.069 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t -139.82 133.38 30.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -102.33 88.79 3.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -53.17 -69.3 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -107.43 172.46 6.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.964 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -63.4 -27.24 69.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -105.93 -47.48 3.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.1 m -80.16 110.14 15.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.443 ' CZ3' ' HB3' ' A' ' 56' ' ' ALA . 54.7 m0 -118.21 161.03 20.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.945 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.7 t -120.28 115.33 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.031 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.75 -159.02 12.31 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.437 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -147.93 123.73 10.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.859 0.361 . . . . 0.0 110.914 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.9 tp -155.82 151.29 27.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 51.62 30.43 6.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.67 23.87 76.52 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.549 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.2 mt -122.27 157.37 31.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.775 0.321 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -138.13 109.42 6.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -151.79 -176.83 24.93 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.524 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 12.4 p-90 -91.73 164.22 13.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.829 0.347 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.408 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 9.5 p90 -171.39 150.5 2.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.75 0.786 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.462 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 53.6 Cg_endo -69.83 106.4 1.67 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.759 2.306 . . . . 0.0 112.259 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.443 ' HB3' ' CZ3' ' A' ' 43' ' ' TRP . . . -51.36 -34.91 36.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.162 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.96 -28.56 6.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.462 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 10.1 m-85 -72.04 -34.36 68.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.883 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.9 m -111.29 177.36 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.113 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -129.14 138.33 51.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.2 t -71.25 158.05 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -138.87 127.83 23.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.11 120.26 32.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -112.6 -35.99 5.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -12.22 48.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.816 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.1 t -55.65 -178.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.49 171.93 7.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -115.25 129.5 56.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -77.87 137.77 38.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.001 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.6 m -50.36 108.39 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.937 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 65.1 mt -144.79 129.01 12.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.15 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.15 92.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.6 t -102.31 116.92 33.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.35 -93.4 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.499 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 141.88 46.15 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.316 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.3 t -114.62 166.77 11.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.9 t 52.05 43.0 30.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.55 179.98 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.39 0 N-CA-C 112.539 -0.225 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -106.31 -52.91 2.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.952 0.406 . . . . 0.0 110.901 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -58.72 149.96 24.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.901 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.81 -134.92 7.22 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.455 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.7 p -120.0 43.05 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.955 0.407 . . . . 0.0 110.847 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 7' ' ' GLY . 9.6 m -68.24 81.28 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.794 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 36.17 -147.55 0.05 OUTLIER Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.412 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -126.48 179.29 5.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 110.836 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -150.79 127.9 11.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.84 140.41 48.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.104 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -93.69 133.56 36.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.87 131.82 39.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.051 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.2 mt -91.75 -19.73 22.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -154.73 169.6 23.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.982 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.01 129.58 35.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -132.31 116.42 16.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -98.37 98.49 9.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.444 ' HB3' ' N ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -40.29 147.84 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.899 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -105.95 -52.47 2.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -85.33 153.74 22.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -53.63 -26.23 21.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.832 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -84.56 -44.06 13.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.842 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.529 ' CD ' ' CZ2' ' A' ' 53' ' ' TRP . 5.2 mm-40 -48.62 136.02 13.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.4 tp -101.41 124.85 47.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.444 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -98.76 160.83 20.27 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -161.9 177.77 9.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.802 0.334 . . . . 0.0 110.872 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -120.66 166.1 14.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.808 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.9 tttp -60.25 143.33 52.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.438 HD21 ' N ' ' A' ' 29' ' ' ASN . 0.9 OUTLIER 60.43 43.49 13.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.948 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -120.61 141.06 50.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.838 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.9 mm -96.44 136.29 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.3 mt -132.79 126.07 53.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.481 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 91.7 m -73.94 128.69 36.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.2 mt -89.51 117.72 33.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.155 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 18.9 mm -90.61 -64.15 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -135.73 113.86 11.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -82.18 88.36 6.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.5 tttt -41.41 -55.63 2.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.973 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.583 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -148.78 178.89 8.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.844 179.801 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -67.52 -3.65 9.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -117.51 -49.38 2.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.797 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -98.58 117.65 33.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.583 ' CD1' ' O ' ' A' ' 39' ' ' ASP . 53.9 m0 -118.53 152.26 36.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.5 t -117.42 108.2 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.188 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.481 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -118.69 -159.11 11.0 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -144.07 142.64 30.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.925 0.393 . . . . 0.0 110.77 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.6 tp -167.45 136.05 2.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 51.94 38.69 24.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.17 34.52 89.86 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.504 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.4 mt -133.56 126.48 31.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.898 0.38 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 51' ' ' ARG . 8.6 ttp-105 -117.7 121.99 42.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -166.27 -173.35 34.59 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.58 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.529 ' CZ2' ' CD ' ' A' ' 23' ' ' GLU . 10.3 p-90 -92.47 164.96 13.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.876 0.37 . . . . 0.0 110.897 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.5 p90 -173.2 152.69 2.29 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.68 0.752 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 110.78 2.66 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.636 2.224 . . . . 0.0 112.332 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.517 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -52.35 -41.77 63.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.117 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.4 ptmt -45.13 -41.74 8.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -59.12 -33.17 70.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.9 m -113.81 -179.01 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.048 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -135.19 136.52 41.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 77.3 t -67.96 157.59 6.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.66 126.43 18.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.91 32.64 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 41.84 40.69 1.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.922 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 39.11 49.97 1.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.7 t -119.98 80.27 1.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -170.98 177.76 3.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -118.62 137.04 53.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -95.03 166.62 11.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.7 m -133.5 -33.65 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 14.6 pt -137.83 149.68 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.134 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -117.69 155.9 29.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.087 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 90.1 p -67.48 170.81 6.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -150.98 -92.68 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -14.83 36.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.742 2.295 . . . . 0.0 112.334 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.5 p 66.03 38.29 4.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.993 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.0 t -118.06 118.53 32.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.87 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.431 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.577 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.0 p -121.39 -57.65 1.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.859 0.361 . . . . 0.0 110.896 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t -49.34 109.28 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.92 -106.07 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.416 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -41.11 156.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.937 0.398 . . . . 0.0 110.843 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.2 p -98.8 -40.86 7.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.33 126.52 0.31 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.451 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.4 mtt85 -136.84 -177.15 4.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.797 0.332 . . . . 0.0 110.828 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -150.13 136.45 18.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.79 146.61 38.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.104 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.87 126.74 52.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.486 ' HB2' ' CD2' ' A' ' 26' ' ' PHE . . . -72.32 114.61 10.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.1 mt -73.25 -18.71 61.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.01 -176.24 5.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.61 150.19 23.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -150.47 124.39 9.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -105.33 97.59 7.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.05 160.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.2 m80 -115.77 -53.27 2.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 22' ' ' ASP . 9.3 t70 -87.01 128.76 35.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.876 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -38.32 -26.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.956 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 20' ' ' ASP . 38.8 m-20 -74.57 -46.14 40.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.515 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 43.2 mt-10 -54.01 157.58 2.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 46.0 tp -119.32 116.72 26.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.09 172.62 32.34 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.531 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.494 ' CD1' HD12 ' A' ' 32' ' ' ILE . 4.9 p90 -170.57 174.38 5.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 0.0 110.98 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -114.86 169.88 8.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.802 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.6 tttt -59.1 141.99 52.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 59.77 47.03 10.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -118.33 126.01 51.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.5 mm -87.09 117.55 31.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.074 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.494 HD12 ' CD1' ' A' ' 26' ' ' PHE . 17.7 mt -116.06 127.03 73.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.2 m -72.3 123.22 22.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 27.5 mt -82.63 121.27 35.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.0 mm -94.99 -56.48 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -143.77 173.87 11.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -133.61 91.99 2.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -59.22 -41.82 89.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -141.66 147.34 37.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -48.16 -36.91 14.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 -89.03 -32.76 17.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.404 ' SG ' ' CZ3' ' A' ' 53' ' ' TRP . 93.5 m -106.75 114.11 28.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 48.8 m0 -108.0 170.19 8.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.1 t -127.73 122.8 59.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.047 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -126.22 -160.17 10.51 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.527 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -146.18 123.71 11.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.6 tp -154.4 143.81 21.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 58.06 29.03 17.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.71 20.34 79.63 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.435 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.7 mt -121.25 150.68 41.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.802 0.334 . . . . 0.0 110.953 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -133.08 112.38 11.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -151.48 -168.98 16.56 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.536 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.515 ' CE2' ' HG2' ' A' ' 23' ' ' GLU . 27.6 p-90 -97.11 165.21 12.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.776 0.322 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 7.4 p90 -174.59 152.4 1.66 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.453 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 53.6 Cg_endo -69.68 118.19 5.53 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.761 2.308 . . . . 0.0 112.349 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.32 -30.3 68.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.086 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.23 -27.57 55.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.453 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 15.3 m-85 -78.56 -18.71 54.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.0 m -121.87 174.97 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -128.15 135.63 50.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.0 t -72.31 145.94 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.43 125.56 34.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -91.25 140.51 29.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -119.61 85.93 2.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.5 mmt-85 -85.28 141.94 29.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.6 t -174.03 116.23 0.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -148.81 158.25 44.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.454 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 31.4 mm-40 -79.3 47.41 0.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 68' ' ' GLU . 9.3 m-85 -140.54 106.23 5.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 t -98.25 146.29 25.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.815 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.48 ' CD1' ' N ' ' A' ' 71' ' ' ILE . 0.1 OUTLIER -39.35 146.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.067 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -118.25 146.31 44.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.035 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 54.9 p -50.61 138.64 17.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 150.16 -89.58 0.14 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.413 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -31.97 19.29 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.536 2.157 . . . . 0.0 112.368 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 88.2 p -91.91 122.35 34.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.5 p -172.0 142.63 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.776 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.45 -179.97 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -119.23 -50.74 2.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.92 0.39 . . . . 0.0 110.85 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.9 t -73.07 -45.92 54.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.795 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.44 159.16 15.42 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.454 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.1 p -135.17 126.68 28.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.841 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.5 p -86.73 135.67 33.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.742 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.55 158.04 25.37 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.522 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -135.98 172.36 13.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.79 0.329 . . . . 0.0 110.879 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -143.44 133.41 24.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.776 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -117.82 127.77 54.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -86.32 125.95 33.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.837 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.13 132.97 48.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 42.8 mt -85.93 -26.54 25.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -149.22 -176.33 5.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.954 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.42 ' O ' ' CG ' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -80.57 118.76 22.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.825 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.586 ' CB ' ' CE1' ' A' ' 26' ' ' PHE . 68.0 t80 -109.68 111.36 22.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.795 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -93.84 106.29 18.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.447 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 9.8 ptt180 -56.62 120.97 8.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -76.17 -53.31 8.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 21' ' ' ASP . 1.3 m-20 -97.29 142.39 29.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' ASP . 8.9 t70 -38.39 -41.11 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -63.15 -48.33 78.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.447 ' CB ' ' HB2' ' A' ' 18' ' ' ARG . 21.0 mt-10 -44.86 137.79 3.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 47.6 tp -100.12 106.68 18.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.412 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -79.78 169.15 53.05 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.46 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.586 ' CE1' ' CB ' ' A' ' 16' ' ' PHE . 8.3 p90 -173.04 161.13 4.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.895 0.378 . . . . 0.0 110.808 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -92.96 174.98 6.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.892 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.2 tttt -68.97 139.47 55.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 56.34 44.12 25.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -108.72 141.36 40.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 51.3 mm -87.45 129.28 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.504 HD11 ' CG ' ' A' ' 26' ' ' PHE . 17.8 mt -130.8 132.74 63.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.079 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.492 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 52.2 m -78.45 137.38 37.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.448 ' N ' HG23 ' A' ' 33' ' ' THR . 67.2 mt -97.94 110.77 26.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.8 mm -84.38 -61.84 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -140.46 158.49 43.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -109.63 132.87 53.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -99.63 -66.06 0.93 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -126.12 174.01 8.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.829 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -54.72 -49.63 70.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -103.64 27.78 7.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.782 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 43.1 m -146.55 105.62 3.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.463 ' CE3' ' HB1' ' A' ' 56' ' ' ALA . 53.8 m0 -118.09 154.03 32.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.919 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.406 HG12 ' NH1' ' A' ' 51' ' ' ARG . 73.5 t -110.76 115.11 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.492 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -120.05 -170.31 14.31 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.514 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -134.59 123.0 23.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.829 0.347 . . . . 0.0 110.917 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.2 tp -153.15 154.8 35.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.964 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 46.84 34.08 2.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.77 33.43 85.89 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.39 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 44.5 mt -129.13 163.16 26.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.813 0.339 . . . . 0.0 110.962 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.406 ' NH1' HG12 ' A' ' 44' ' ' VAL . 15.7 ttp85 -143.14 106.55 4.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.83 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -152.78 -165.36 13.27 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.42 ' NE1' ' HG2' ' A' ' 23' ' ' GLU . 5.7 p-90 -100.58 167.47 10.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.8 0.333 . . . . 0.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -171.25 150.92 2.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.635 0.731 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 110.43 2.55 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.463 ' HB1' ' CE3' ' A' ' 43' ' ' TRP . . . -53.04 -32.71 48.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.051 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 58' ' ' PHE . 2.5 ptmt -56.0 -30.75 62.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.953 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.453 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 9.8 m-85 -72.8 -26.6 61.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.7 m -114.78 174.54 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -130.17 129.87 44.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.402 ' CG1' ' N ' ' A' ' 62' ' ' LEU . 90.1 t -57.81 157.95 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.402 ' N ' ' CG1' ' A' ' 61' ' ' VAL . 1.1 mt -144.25 135.56 25.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.95 100.17 8.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -57.73 -43.18 85.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.5 -56.25 7.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.6 m -50.61 97.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.812 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.36 89.14 3.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -116.33 161.43 19.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -99.43 109.72 22.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -129.06 83.82 2.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 50.0 mm -124.7 141.4 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -124.55 -45.81 1.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 t -126.48 83.57 2.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -169.06 159.59 32.69 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.54 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.67 2.19 3.7 Favored 'Trans proline' 0 C--O 1.23 0.114 0 C-N-CA 122.753 2.302 . . . . 0.0 112.37 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 67.5 m -98.01 97.55 9.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.9 m -87.72 -47.17 8.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.407 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.42 -179.952 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -76.76 162.96 27.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 t 51.07 41.99 28.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.97 -126.79 1.89 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.595 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 m -84.85 -51.52 6.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.349 . . . . 0.0 110.923 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -77.18 136.51 38.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.791 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.79 131.8 3.51 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.2 mtm-85 -108.12 162.7 13.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.838 0.351 . . . . 0.0 110.88 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.9 mtm180 -147.54 130.55 16.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -113.23 142.4 45.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.436 ' NZ ' ' OD1' ' A' ' 29' ' ' ASN . 12.7 ttpp -95.02 125.66 39.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.403 ' CB ' ' CD2' ' A' ' 26' ' ' PHE . . . -69.41 135.2 49.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.097 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.0 mt -85.23 -27.28 26.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 pp -147.05 -175.51 4.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.452 ' CG ' ' O ' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -89.02 115.88 26.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.822 179.86 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -109.02 107.29 17.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 18' ' ' ARG . 44.4 mt-10 -88.12 88.92 7.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.442 ' HB3' ' N ' ' A' ' 25' ' ' GLY . 6.0 ptt180 -34.51 121.36 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -74.48 -43.8 54.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -105.75 172.15 6.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.93 -47.06 82.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -57.79 -46.81 84.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.517 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 31.9 mt-10 -53.27 139.31 29.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.94 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.7 tp -99.66 118.73 36.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.442 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -91.97 137.33 13.7 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.451 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.515 ' CG ' HD12 ' A' ' 32' ' ' ILE . 9.3 p90 -143.45 157.17 44.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.464 ' N ' ' HD3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -87.37 175.93 7.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.828 -179.882 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -70.38 134.54 47.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.807 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.436 ' OD1' ' NZ ' ' A' ' 11' ' ' LYS . 27.9 m-20 61.34 42.78 11.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.04 129.33 55.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 22.7 mm -81.86 127.52 39.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.515 HD12 ' CG ' ' A' ' 26' ' ' PHE . 13.0 mt -123.29 143.51 36.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.157 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.47 ' N ' HG21 ' A' ' 32' ' ' ILE . 19.4 m -86.63 111.23 20.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.6 mt -68.17 112.63 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.9 mm -82.43 -59.2 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.8 t -143.37 176.42 9.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -127.92 76.41 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.6 tptt -47.7 -46.85 29.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -140.1 139.16 35.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -41.08 -39.7 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -83.33 -46.69 12.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 98.9 m -99.27 116.95 32.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.545 ' CE3' ' HB1' ' A' ' 56' ' ' ALA . 52.7 m0 -108.19 177.04 4.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.0 t -127.29 130.2 70.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.059 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.28 175.93 20.62 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.426 ' CB ' ' HB3' ' A' ' 51' ' ' ARG . 10.6 tt0 -128.9 152.19 48.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.912 0.387 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.406 ' N ' ' HG2' ' A' ' 46' ' ' GLU . 12.1 tp -170.82 133.3 0.93 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.971 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 55.69 34.4 23.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.44 8.31 85.72 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 mt -125.57 128.81 48.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.824 0.345 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.426 ' HB3' ' CB ' ' A' ' 46' ' ' GLU . 22.0 ptt85 -128.37 159.14 36.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.24 -174.21 46.54 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.541 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.517 ' CE2' ' HG2' ' A' ' 23' ' ' GLU . 16.8 p-90 -84.07 156.2 22.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.922 0.391 . . . . 0.0 110.873 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -171.23 152.33 3.37 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.645 0.735 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.455 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 53.4 Cg_endo -69.82 111.6 2.87 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.545 ' HB1' ' CE3' ' A' ' 43' ' ' TRP . . . -51.49 -38.3 53.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.034 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -50.46 -36.33 32.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.455 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 10.0 m-85 -65.96 -27.99 68.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.777 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.4 m -113.79 173.09 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -127.37 138.57 53.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 64.9 t -70.71 155.39 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -139.57 113.25 8.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 64' ' ' GLU . 9.0 p-10 -84.53 37.06 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 63' ' ' ASP . 30.2 mp0 34.4 42.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -83.73 37.93 0.61 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.8 t -80.32 101.63 9.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.562 ' HE3' ' CE1' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -163.98 174.67 11.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -110.97 174.76 5.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.562 ' CE1' ' HE3' ' A' ' 67' ' ' LYS . 4.9 m-85 -117.17 160.11 21.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 t -122.15 111.41 16.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.3 mp -134.26 124.89 46.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.56 169.93 13.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.2 m -88.92 176.86 6.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -173.67 -93.95 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -44.73 1.93 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.62 2.213 . . . . 0.0 112.442 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.6 t -154.7 145.98 22.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.9 t -99.57 153.96 18.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.829 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.456 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.0 t -61.31 -47.18 87.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.916 0.388 . . . . 0.0 110.874 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 t -55.11 147.03 16.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.832 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.17 -40.81 0.32 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.549 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.4 m -39.68 -47.74 2.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.92 0.39 . . . . 0.0 110.864 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.8 p -56.31 98.21 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.99 133.16 1.51 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.55 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.3 mtt85 -136.96 176.96 8.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.876 0.369 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.448 ' HD2' ' CG2' ' A' ' 31' ' ' ILE . 19.4 mtm180 -147.43 142.14 26.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.825 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -126.02 135.8 52.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -87.88 130.82 34.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.74 106.7 6.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.173 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.2 mt -62.07 -33.01 73.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -144.62 174.79 10.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.949 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -80.45 144.34 32.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -142.56 118.13 10.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -99.37 98.01 8.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.63 153.61 0.78 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.822 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -108.44 -51.93 2.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -90.28 141.72 28.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -42.68 -36.55 1.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -68.8 -48.81 62.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.409 ' HG2' ' NE1' ' A' ' 53' ' ' TRP . 40.4 mt-10 -51.2 134.57 27.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.802 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.417 ' CD1' ' HB2' ' A' ' 50' ' ' LEU . 38.9 tp -101.13 123.46 45.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.974 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.08 177.14 28.68 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.413 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.497 ' CG ' HD11 ' A' ' 32' ' ' ILE . 3.3 p90 -173.12 178.79 2.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 110.903 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -116.56 175.77 5.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.0 tttm -71.21 141.57 50.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 60.06 41.97 16.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.83 144.08 44.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.807 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.448 ' CG2' ' HD2' ' A' ' 9' ' ' ARG . 49.4 mm -95.59 124.28 48.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.497 HD11 ' CG ' ' A' ' 26' ' ' PHE . 28.7 mt -122.18 125.29 72.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.165 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.409 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 51.6 m -73.5 132.9 43.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.172 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.3 mt -94.3 111.37 25.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.086 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.7 mm -84.43 -65.4 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -124.05 153.37 41.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -112.97 79.52 1.24 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.447 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 25.5 tptt -39.29 -48.01 1.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.853 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.447 ' CG ' ' O ' ' A' ' 38' ' ' LYS . 31.5 m-20 -167.08 164.32 15.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -53.43 -15.57 1.1 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -101.01 -56.38 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.4 p -98.8 129.01 45.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.57 ' CE3' ' HB2' ' A' ' 56' ' ' ALA . 49.8 m0 -120.47 163.67 17.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 94.1 t -123.54 117.91 52.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -119.6 -166.45 13.33 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -145.82 125.11 13.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.89 0.376 . . . . 0.0 110.843 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 tp -156.79 147.81 21.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 48.26 34.18 4.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.55 31.18 73.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.442 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.417 ' HB2' ' CD1' ' A' ' 24' ' ' LEU . 21.4 mt -130.69 128.5 41.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.781 0.324 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -122.15 106.9 11.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -149.66 -166.49 13.32 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.409 ' NE1' ' HG2' ' A' ' 23' ' ' GLU . 6.2 p-90 -94.94 163.67 13.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.866 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -171.65 152.81 3.24 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.594 0.711 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 111.34 2.8 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.75 2.3 . . . . 0.0 112.283 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.57 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . . . -55.15 -42.6 73.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -43.82 -36.63 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -65.06 -35.89 82.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.42 ' N ' ' O ' ' A' ' 56' ' ' ALA . 13.0 m -107.97 175.33 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -131.02 127.65 38.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.466 HG11 ' N ' ' A' ' 62' ' ' LEU . 80.3 t -61.23 158.99 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.466 ' N ' HG11 ' A' ' 61' ' ' VAL . 0.5 OUTLIER -142.96 127.31 17.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.961 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -113.42 86.47 2.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -65.34 174.93 1.89 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 51.21 37.2 17.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.8 m -120.27 153.05 36.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.82 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.19 134.39 55.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -157.11 159.77 38.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -120.37 87.91 2.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.5 t -131.65 176.07 8.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.7 mt -59.14 134.96 24.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.86 161.35 8.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.079 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.0 p -114.47 130.68 56.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.825 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -55.66 179.92 0.36 Allowed Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.48 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 76' ' ' SER . 53.2 Cg_endo -69.92 -1.15 8.12 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.644 2.229 . . . . 0.0 112.334 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 75' ' ' PRO . 66.7 m -34.93 -46.36 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.7 m -89.58 153.43 20.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.823 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.425 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.459 179.999 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.203 0 N-CA-C 112.403 -0.279 . . . . 0.0 112.403 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.9 p -44.51 160.22 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.933 0.397 . . . . 0.0 110.736 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 m -70.15 166.95 18.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.782 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.83 -111.7 0.49 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.502 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.7 t -141.93 150.18 41.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.866 0.365 . . . . 0.0 110.876 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.4 m -83.79 101.84 11.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.85 127.19 14.7 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -130.23 170.79 13.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.321 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.8 mtm180 -143.82 135.61 26.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.81 142.92 46.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -94.12 131.61 39.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.95 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.98 103.7 8.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.031 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.0 mt -61.75 -33.59 74.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -145.81 172.52 13.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -74.72 138.22 42.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.853 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -126.99 109.15 11.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -89.77 102.96 15.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 ptt180 -64.33 125.78 25.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.823 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -76.45 -47.0 24.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -108.23 143.52 36.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.798 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' ASP . 0.6 OUTLIER -41.6 -55.72 2.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' ASP . 20.6 m-20 -37.21 -53.46 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.82 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.505 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 3.7 mm-40 -55.14 156.51 3.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.1 tp -112.43 108.38 17.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.983 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.35 152.04 26.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.392 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.513 ' CG ' HD13 ' A' ' 32' ' ' ILE . 3.0 p90 -153.9 174.52 14.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.2 mmt85 -113.02 173.52 6.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.789 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -69.96 143.33 52.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.952 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 59.62 42.5 17.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -119.52 142.71 48.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.8 mm -94.14 126.86 46.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.19 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.513 HD13 ' CG ' ' A' ' 26' ' ' PHE . 20.4 mt -124.56 125.79 70.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.471 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 98.9 m -71.19 138.86 49.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.424 ' N ' HG23 ' A' ' 33' ' ' THR . 73.4 mt -99.94 114.45 38.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.6 mm -89.86 -64.07 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.102 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -124.94 160.18 29.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.834 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -135.53 111.0 9.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.404 ' HE2' ' CG2' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -78.4 -46.91 18.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 41' ' ' HIS . 23.2 p-10 -167.73 147.25 4.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.914 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -39.38 -26.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 39' ' ' ASP . 59.6 m170 -69.93 -53.14 19.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.782 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 19.6 m -130.78 135.82 48.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.804 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.44 ' CE3' ' HB2' ' A' ' 56' ' ' ALA . 49.4 m0 -122.56 176.18 6.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.404 ' CG2' ' HE2' ' A' ' 38' ' ' LYS . 92.2 t -125.18 125.31 69.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.471 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -129.73 -168.91 12.42 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.503 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -141.72 126.61 18.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 110.92 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.1 tp -156.31 147.66 22.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 55.64 33.12 20.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.51 31.36 76.41 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.527 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.6 mt -130.04 162.53 28.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.785 0.326 . . . . 0.0 110.996 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -140.11 107.09 5.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.946 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -144.38 -157.84 7.37 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.46 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.505 ' CE2' ' HG2' ' A' ' 23' ' ' GLU . 7.7 p-90 -115.45 169.22 9.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.76 0.314 . . . . 0.0 110.934 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.44 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 4.7 p90 -173.5 152.77 2.18 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.637 0.732 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.69 115.67 4.19 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.621 2.214 . . . . 0.0 112.36 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.44 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . . . -56.32 -38.76 71.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.98 -34.11 19.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -67.74 -32.64 73.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.0 m -110.68 179.19 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -131.79 128.54 39.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.1 t -66.41 146.12 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.099 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.42 142.15 49.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.777 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -120.32 94.03 4.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.803 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -51.89 172.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -80.56 164.73 22.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.9 t 53.26 44.06 30.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.78 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -131.97 111.79 11.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -174.78 107.82 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.81 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -115.38 102.79 10.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.5 t -157.64 155.22 29.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.829 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.0 pt -80.25 175.82 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.234 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.15 95.5 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.122 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 83.5 p -134.21 143.21 47.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -133.84 -165.83 11.13 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.498 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 76' ' ' SER . 53.2 Cg_endo -69.92 -3.68 12.6 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.659 2.24 . . . . 0.0 112.25 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 75' ' ' PRO . 17.6 p -34.6 125.14 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.852 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.8 t 60.75 41.27 15.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.777 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -96.7 152.71 18.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.847 0.356 . . . . 0.0 110.917 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.2 m -120.77 94.85 4.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.98 -137.83 14.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.577 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 m -128.0 -42.31 1.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.908 0.385 . . . . 0.0 110.871 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.9 m -71.05 112.7 7.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.866 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.21 119.7 1.02 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.519 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -114.95 166.27 11.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.881 0.372 . . . . 0.0 110.825 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.3 mtt85 -146.46 147.7 31.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.468 ' HB2' ' CG2' ' A' ' 59' ' ' VAL . . . -131.54 149.72 52.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.154 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.8 ttpp -97.8 128.8 44.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.68 103.19 4.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.192 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.6 mt -64.31 -23.59 67.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.971 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 15' ' ' ASP . 3.9 pp -152.81 176.01 12.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.498 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 1.2 t0 -82.4 134.26 35.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -120.71 113.51 20.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -90.89 94.16 9.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.407 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 24.6 ptt-85 -43.5 119.11 1.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -88.64 21.74 2.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -162.1 151.92 16.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.3 -26.89 65.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.902 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -86.74 -42.5 13.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -48.94 131.93 18.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.0 tp -89.81 110.63 21.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.72 166.86 29.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.497 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.44 ' CG ' HD13 ' A' ' 32' ' ' ILE . 2.5 p90 -161.89 179.76 7.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.801 0.334 . . . . 0.0 110.898 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -120.97 165.01 15.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.8 tttt -58.14 137.97 56.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 62.34 53.27 2.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -128.35 140.45 51.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.828 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.9 mm -93.47 131.51 40.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.44 HD13 ' CG ' ' A' ' 26' ' ' PHE . 31.8 mt -127.13 136.63 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.451 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 45.1 m -85.14 130.91 34.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.1 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.8 mt -92.74 111.39 24.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.229 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.5 mm -83.79 -64.94 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.027 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t -133.91 113.8 12.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -72.98 79.55 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.0 tttp -41.02 -47.35 3.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.527 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 2.7 p-10 -173.07 153.44 2.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.424 ' O ' ' CD ' ' A' ' 40' ' ' GLU . 11.1 tm-20 -49.97 -23.22 1.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -88.15 -34.14 17.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 82.3 m -137.49 122.46 18.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.567 ' CZ3' ' HB3' ' A' ' 56' ' ' ALA . 44.4 m0 -115.95 155.41 28.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.864 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 89.1 t -115.76 115.07 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.101 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.451 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -119.96 -168.38 13.8 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.566 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -136.31 122.89 20.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 0.0 110.879 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.9 tp -154.99 145.35 22.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 55.94 29.4 14.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.951 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.86 24.69 75.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.454 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.1 mt -124.21 149.39 46.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.791 0.329 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -132.09 116.0 16.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.801 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -153.49 -154.08 6.62 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.563 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 18.9 p-90 -113.47 155.71 24.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.804 0.335 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -166.46 151.57 7.46 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.746 0.784 . . . . 0.0 110.82 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 52.7 Cg_endo -69.77 137.29 35.09 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.711 2.274 . . . . 0.0 112.278 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.567 ' HB3' ' CZ3' ' A' ' 43' ' ' TRP . . . -79.36 -28.96 41.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.076 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.572 ' HE2' ' CE1' ' A' ' 58' ' ' PHE . 0.3 OUTLIER -59.79 -15.09 17.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.572 ' CE1' ' HE2' ' A' ' 57' ' ' LYS . 9.0 m-85 -82.51 -34.92 27.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 10' ' ' ALA . 4.5 m -110.85 176.72 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -126.9 131.7 51.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.818 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 22.0 t -68.59 150.19 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.046 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.29 147.38 50.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -129.86 106.3 8.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 65' ' ' ARG . 55.6 mt-10 -94.04 153.6 18.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 64' ' ' GLU . 28.9 ptt180 35.98 41.31 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.4 t -131.94 135.14 46.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -88.39 85.81 6.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.801 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -144.54 121.81 11.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -125.11 163.83 21.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.3 t -133.41 -33.67 1.1 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.822 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 14.6 pt -57.09 155.67 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -125.76 104.72 8.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.1 m -46.0 165.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.837 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 172.36 74.09 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.518 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 120.89 7.61 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.641 2.228 . . . . 0.0 112.362 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.6 p -68.3 -45.58 72.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.0 t -86.46 42.2 0.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.426 -179.957 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.426 -0.27 . . . . 0.0 112.426 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 1' ' ' GLY . 50.1 p 35.85 42.11 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.933 0.397 . . . . 0.0 110.864 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.1 p -77.86 -52.9 8.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.859 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.4 148.03 5.91 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -102.92 43.58 1.07 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.873 0.368 . . . . 0.0 110.863 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.8 p -103.78 103.47 13.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.817 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.91 135.67 3.04 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.418 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -106.07 140.68 38.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.851 0.357 . . . . 0.0 110.837 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.8 mtm-85 -132.54 133.91 44.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -119.89 128.67 53.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.034 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' HD2' ' C ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -84.56 134.18 34.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.465 ' HB1' ' CD1' ' A' ' 26' ' ' PHE . . . -71.8 126.3 29.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.1 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.4 mt -82.44 -28.25 31.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -149.85 -178.24 6.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -84.33 119.39 25.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.821 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -116.85 103.71 10.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -87.15 112.58 22.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.31 157.16 38.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -112.15 -51.94 2.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -99.0 144.85 27.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -42.78 -38.38 2.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.93 -42.17 89.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.846 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.513 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 21.7 mt-10 -71.32 138.72 49.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 36.9 tp -108.79 116.28 31.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.39 161.47 27.55 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.476 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.568 ' CD2' HD11 ' A' ' 32' ' ' ILE . 2.9 p90 -160.24 157.55 28.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.715 0.293 . . . . 0.0 110.968 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -91.15 172.01 8.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -66.71 139.44 57.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 61.39 31.96 19.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -102.7 133.53 47.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.6 mm -90.15 131.43 37.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.568 HD11 ' CD2' ' A' ' 26' ' ' PHE . 23.2 mt -127.84 129.94 69.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.19 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.413 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 53.7 m -73.93 134.49 43.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.084 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 60.6 mt -94.22 114.37 30.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.46 HG22 ' CZ ' ' A' ' 51' ' ' ARG . 19.2 mm -85.97 -60.7 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -139.15 145.96 40.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -98.78 78.88 2.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -44.64 -66.4 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -116.31 177.22 4.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.957 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -69.0 -42.52 76.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -92.71 -37.63 12.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.771 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.0 m -94.39 120.98 35.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 52.7 m0 -118.71 160.8 21.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.6 t -114.82 113.77 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.413 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -113.98 -164.39 15.25 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -143.89 123.47 13.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.3 tp -153.92 150.0 27.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 53.15 28.39 6.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.76 28.74 70.32 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.0 mt -127.35 161.79 27.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.797 0.332 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.46 ' CZ ' HG22 ' A' ' 35' ' ' ILE . 24.1 mtt180 -140.05 111.32 7.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.821 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -149.77 -167.48 14.22 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.425 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.513 ' CE2' ' HG2' ' A' ' 23' ' ' GLU . 16.7 p-90 -104.11 159.23 15.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.821 0.343 . . . . 0.0 110.858 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -166.0 152.46 8.61 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.666 0.746 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 115.71 4.21 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.756 2.304 . . . . 0.0 112.363 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.31 -35.93 76.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.052 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.27 -25.5 9.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -77.09 -27.83 54.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.8 m -113.76 169.54 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.136 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -122.61 129.76 52.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.823 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 62.0 t -65.55 148.63 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.103 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.36 170.66 14.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -145.79 125.55 13.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -139.52 171.3 14.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 50.64 49.04 21.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.82 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 67' ' ' LYS . 2.1 t -123.84 150.89 44.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -34.33 116.02 0.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -132.89 146.97 52.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -112.76 157.47 21.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 34.7 m -94.61 95.6 8.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.9 mm -134.15 143.07 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.165 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -152.3 142.23 22.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.03 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.3 m 38.73 31.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -93.87 -80.12 1.47 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.576 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -14.43 35.87 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.736 2.291 . . . . 0.0 112.368 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 44.4 t -52.34 107.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 79.1 p -42.95 106.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.869 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.467 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.2 mtm180 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.917 0.389 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.587 ' O ' HD12 ' A' ' 62' ' ' LEU . 20.2 mtm180 -149.03 128.38 12.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.12 138.1 49.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.2 ttpp -91.95 130.07 37.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.517 ' HB3' ' H ' ' A' ' 30' ' ' ASP . . . -72.83 131.13 41.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.1 mt -89.01 -22.39 23.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.695 HD11 ' CD2' ' A' ' 58' ' ' PHE . 4.4 pp -153.79 175.46 13.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.41 130.83 35.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -128.81 109.44 11.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.835 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -88.95 101.97 14.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.2 ptt85 -49.61 127.91 16.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -82.92 -43.49 16.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -109.22 149.01 30.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -49.54 -28.8 5.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -73.16 -31.54 64.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.759 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.451 ' HG2' ' NE1' ' A' ' 53' ' ' TRP . 24.5 mt-10 -71.98 138.48 48.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.6 tp -101.57 112.01 24.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.95 172.26 47.64 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.531 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -173.9 154.97 2.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.861 0.363 . . . . 0.0 110.86 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -91.27 162.26 14.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -61.76 129.89 43.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.783 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 73.29 34.23 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.517 ' H ' ' HB3' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -102.66 146.63 27.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 41.5 mm -98.25 126.28 51.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 mt -128.87 126.5 64.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.08 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 97.1 m -79.16 121.4 24.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.7 mt -77.48 117.34 22.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.187 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.4 mm -91.21 -63.92 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -131.18 111.28 11.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 38' ' ' LYS . 91.3 mt-30 -77.89 83.19 4.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 37' ' ' GLN . 12.3 tptm -35.12 -48.62 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.964 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.532 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 46.8 m-20 -162.69 178.38 8.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -68.56 -2.79 9.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.899 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -115.23 -46.28 2.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.78 122.88 48.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.532 ' CD1' ' O ' ' A' ' 39' ' ' ASP . 40.8 m0 -118.68 156.2 29.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.9 t -123.34 110.66 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.113 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.53 -170.13 16.59 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.502 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -127.97 133.15 49.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 110.89 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.0 tp -159.86 134.59 7.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 56.65 35.24 25.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.56 23.39 73.71 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.448 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.0 mt -120.61 159.24 25.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.803 0.335 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -141.12 110.84 6.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.809 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -149.34 169.86 29.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.516 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.451 ' NE1' ' HG2' ' A' ' 23' ' ' GLU . 6.2 p-90 -82.05 166.37 19.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.765 0.317 . . . . 0.0 110.937 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.421 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 8.5 p90 -174.99 152.5 1.5 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.593 0.711 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.492 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 53.5 Cg_endo -69.79 113.63 3.44 Favored 'Trans proline' 0 N--CA 1.466 -0.13 0 C-N-CA 122.651 2.234 . . . . 0.0 112.423 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.9 -36.58 59.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 58' ' ' PHE . 13.2 pttm -53.19 -37.07 61.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.695 ' CD2' HD11 ' A' ' 14' ' ' LEU . 9.7 m-85 -64.53 -27.23 68.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.3 m -117.52 -178.85 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -131.57 142.17 49.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.434 HG12 ' N ' ' A' ' 62' ' ' LEU . 25.2 t -75.17 155.3 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 9' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 66.6 mtt180 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.807 0.337 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.7 mtm180 -143.03 140.19 30.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.796 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.472 ' HB1' ' CG2' ' A' ' 59' ' ' VAL . . . -122.35 146.8 46.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -106.68 128.33 54.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.04 110.95 8.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.455 ' HB2' HD23 ' A' ' 14' ' ' LEU . 29.8 mt -69.94 -18.17 63.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.976 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.455 HD23 ' HB2' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -156.53 -175.43 5.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 179.878 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.0 143.78 29.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -136.81 126.09 24.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -108.47 104.12 13.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.41 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 6.2 ptt85 -54.59 119.18 4.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -71.99 -41.37 67.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -104.25 162.27 13.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.6 -36.19 79.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -67.94 -48.57 65.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.536 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 23.4 mt-10 -46.91 141.21 4.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.0 tp -96.65 117.2 30.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.97 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.97 147.32 18.6 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.429 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.611 ' CG ' HD11 ' A' ' 32' ' ' ILE . 4.3 p90 -149.3 174.66 12.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 0.0 110.881 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 53.3 mmt-85 -112.53 168.79 9.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.808 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -64.57 141.71 58.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.992 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.6 m120 62.47 40.64 10.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -116.08 139.02 50.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.782 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 40.3 mm -92.54 121.9 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.611 HD11 ' CG ' ' A' ' 26' ' ' PHE . 15.3 mt -119.68 127.17 75.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.09 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.483 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 61.5 m -73.62 135.98 43.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.3 mt -94.45 116.55 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.8 mm -92.42 -61.63 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.224 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -133.3 176.42 8.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -133.19 80.59 1.89 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -52.05 -37.25 53.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -151.55 154.81 37.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -58.55 -32.79 69.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -88.17 -34.63 17.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 98.2 m -114.63 120.28 39.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.7 m0 -109.49 168.69 9.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.962 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.2 117.43 52.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -121.57 -170.52 13.91 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.459 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -136.3 123.34 21.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 110.877 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.6 tp -152.65 143.89 23.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 m120 56.54 27.18 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.74 26.49 71.28 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.54 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.8 mt -126.95 151.05 49.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.744 0.307 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.3 mtm180 -128.73 105.53 8.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -143.61 176.54 22.94 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.476 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.536 ' CE2' ' HG2' ' A' ' 23' ' ' GLU . 32.0 p-90 -89.44 165.03 14.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 110.951 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 7.0 p90 -172.48 152.41 2.64 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.655 0.741 . . . . 0.0 110.881 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.413 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 53.8 Cg_endo -69.76 126.68 13.6 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.282 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.19 -29.28 67.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -58.97 -23.11 61.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.413 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 11.1 m-85 -78.46 -33.72 48.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.472 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 2.6 m -110.83 -179.1 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -134.04 129.79 36.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 62' ' ' LEU . 79.2 t -58.97 152.84 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.411 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.7 mtt-85 . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.854 0.359 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -142.23 129.82 21.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.948 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.727 ' HB2' HD11 ' A' ' 34' ' ' ILE . . . -117.44 148.45 41.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.092 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.603 ' HB2' HD11 ' A' ' 62' ' ' LEU . 3.2 tmmm? -101.19 125.45 47.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.59 112.97 5.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.9 mt -71.02 -25.59 62.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.657 HD11 ' CE2' ' A' ' 58' ' ' PHE . 1.0 OUTLIER -148.01 179.73 7.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.946 179.865 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.13 135.18 33.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -124.0 131.77 53.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 18' ' ' ARG . 7.5 pt-20 -106.75 87.75 2.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.475 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 32.4 ptt180 -34.48 133.1 0.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -71.99 -47.73 49.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -129.21 166.25 19.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -45.5 -37.5 5.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.02 -48.25 82.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.517 ' OE2' ' CZ2' ' A' ' 53' ' ' TRP . 5.0 mm-40 -58.92 148.48 30.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.0 tp -102.54 114.98 29.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.8 121.33 6.74 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.55 ' CB ' HD11 ' A' ' 32' ' ' ILE . 3.3 p90 -123.09 168.84 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.869 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -111.22 155.22 23.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -53.09 140.18 26.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 63.66 44.25 5.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.767 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -121.56 134.92 55.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 51.1 mm -90.42 121.95 41.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.55 HD11 ' CB ' ' A' ' 26' ' ' PHE . 18.6 mt -119.12 129.97 74.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.2 m -76.61 114.23 15.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.727 HD11 ' HB2' ' A' ' 10' ' ' ALA . 11.4 mt -75.67 110.05 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.16 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.574 HG21 ' CZ ' ' A' ' 51' ' ' ARG . 13.4 mm -80.76 -56.57 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -136.78 165.1 26.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.497 ' HG2' ' CD1' ' A' ' 43' ' ' TRP . 74.1 mt-30 -125.54 75.37 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 37' ' ' GLN . 12.9 mtpt -36.05 -42.01 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -164.53 175.94 9.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.17 -6.98 38.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -114.81 -29.82 6.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -116.51 116.86 28.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.497 ' CD1' ' HG2' ' A' ' 37' ' ' GLN . 33.3 m0 -114.1 159.86 19.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.413 HG23 ' HG3' ' A' ' 38' ' ' LYS . 49.3 t -126.27 119.95 55.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.098 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.15 -178.58 15.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.537 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -132.1 123.42 27.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.846 0.355 . . . . 0.0 110.869 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.3 tp -154.45 144.81 22.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.929 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.7 m120 56.92 30.46 18.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.43 24.93 75.03 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.439 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.0 mt -123.37 162.27 23.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.858 0.361 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.574 ' CZ ' HG21 ' A' ' 35' ' ' ILE . 36.1 mtp180 -142.13 121.92 13.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -157.14 -167.01 17.63 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.553 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.517 ' CZ2' ' OE2' ' A' ' 23' ' ' GLU . 19.2 p-90 -106.25 163.76 12.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.712 0.291 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 4.5 p90 -173.74 152.58 2.04 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.693 0.758 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.56 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 55.0 Cg_endo -69.68 127.71 15.05 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.656 2.238 . . . . 0.0 112.404 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.24 -42.25 99.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.5 pttm -45.65 -32.7 2.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.813 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.657 ' CE2' HD11 ' A' ' 14' ' ' LEU . 10.8 m-85 -69.08 -35.14 76.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.1 m -111.91 -178.83 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -143.5 142.58 31.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.2 t -72.29 152.61 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.603 HD11 ' HB2' ' A' ' 11' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.834 0.349 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.633 ' O ' HD12 ' A' ' 62' ' ' LEU . 45.5 mtt180 -146.83 129.05 15.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -111.69 144.9 40.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp -100.98 125.27 47.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.93 127.31 32.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.218 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.516 ' HB2' HD23 ' A' ' 14' ' ' LEU . 62.5 mt -83.29 -19.66 35.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.516 HD23 ' HB2' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -156.33 -176.15 5.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 179.844 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -85.84 105.37 16.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.571 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 72.3 t80 -93.39 104.26 16.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -84.05 106.25 15.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.7 ptt-85 -59.84 131.23 50.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.8 t-160 -83.39 -43.51 15.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -113.6 163.44 14.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -56.1 -42.89 77.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.7 -38.97 79.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.458 ' HG2' ' NE1' ' A' ' 53' ' ' TRP . 3.8 mm-40 -64.75 132.6 50.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.6 tp -89.63 112.68 23.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.06 150.28 20.87 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.403 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 16' ' ' PHE . 8.2 p90 -156.04 -176.91 6.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 84.9 mmt-85 -127.31 154.03 45.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -46.11 142.35 2.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 63.34 47.52 3.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -122.92 138.81 54.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.496 ' O ' HD13 ' A' ' 47' ' ' LEU . 35.4 mm -99.19 124.0 52.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.072 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.428 HG12 HD22 ' A' ' 47' ' ' LEU . 17.3 mt -118.34 126.3 74.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.202 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 55.3 m -73.67 107.09 5.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.8 mt -66.23 120.62 13.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.125 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.3 mm -95.25 -57.02 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t -137.17 172.7 12.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.444 ' OE1' ' CG ' ' A' ' 43' ' ' TRP . 8.6 mm-40 -131.72 97.05 4.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.503 ' HG3' HG23 ' A' ' 44' ' ' VAL . 19.2 mtpp -62.97 -54.54 36.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -134.41 176.41 8.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -64.22 -6.52 6.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -129.01 -47.41 1.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.3 t -78.12 100.01 6.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.444 ' CG ' ' OE1' ' A' ' 37' ' ' GLN . 53.5 m0 -108.89 152.86 24.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.02 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.503 HG23 ' HG3' ' A' ' 38' ' ' LYS . 62.3 t -112.74 108.14 24.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.125 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.95 -176.38 19.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.464 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -128.88 124.47 35.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.843 0.354 . . . . 0.0 110.922 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.496 HD13 ' O ' ' A' ' 31' ' ' ILE . 12.2 tp -155.8 134.19 11.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 27.1 m120 62.68 32.88 15.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.1 19.2 73.68 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.511 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.5 mt -122.61 136.19 54.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.719 0.295 . . . . 0.0 110.949 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -121.39 109.15 14.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -149.22 -177.5 23.42 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.458 ' NE1' ' HG2' ' A' ' 23' ' ' GLU . 16.5 p-90 -89.76 167.58 12.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.905 0.383 . . . . 0.0 110.896 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.431 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 8.0 p90 -174.89 152.15 1.5 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.697 0.761 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 103.45 1.16 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.709 2.273 . . . . 0.0 112.354 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.47 -38.92 9.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.18 -38.82 19.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -63.62 -28.52 69.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.795 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.2 m -113.68 177.88 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -128.11 143.25 51.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 59.8 t -76.54 151.59 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.158 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.633 HD12 ' O ' ' A' ' 9' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.6 mtm180 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.79 0.328 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.4 mtt85 -150.76 134.22 16.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.503 ' HB1' ' CG2' ' A' ' 59' ' ' VAL . . . -114.43 143.33 45.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.409 ' HB3' HD21 ' A' ' 62' ' ' LEU . 25.2 ttpt -102.05 125.46 48.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.71 124.3 23.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.049 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.5 mt -84.37 -14.72 48.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.467 ' N ' HD23 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -158.53 -176.4 5.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.904 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.24 141.13 35.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -135.18 123.46 23.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -110.31 90.54 3.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.816 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.434 ' HB3' ' N ' ' A' ' 25' ' ' GLY . 0.3 OUTLIER -39.36 117.44 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -94.08 28.96 2.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -167.83 136.37 2.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -44.19 -32.89 1.37 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -79.96 -43.13 22.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.455 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 33.8 mt-10 -53.18 138.42 31.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.7 tp -96.39 116.86 29.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.949 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.434 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -91.26 160.25 26.87 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.457 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.441 ' CG ' HD11 ' A' ' 32' ' ' ILE . 10.5 p90 -167.73 175.78 6.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 0.0 110.901 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.428 ' C ' ' OD1' ' A' ' 30' ' ' ASP . 13.3 mmm180 -113.72 173.71 6.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -69.17 145.42 53.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.779 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 61.1 37.56 17.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.428 ' OD1' ' C ' ' A' ' 27' ' ' ARG . 3.5 m-20 -113.69 138.63 49.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.1 mm -93.5 128.39 44.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.51 HG12 HD13 ' A' ' 47' ' ' LEU . 18.9 mt -125.82 130.54 72.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.08 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.491 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 55.6 m -74.07 135.95 43.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.235 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.1 mt -96.1 117.14 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.4 mm -89.44 -57.55 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -141.63 173.48 11.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -129.25 84.11 2.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -55.88 -43.72 77.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.957 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -142.17 139.82 32.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -40.87 -39.04 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -87.28 -40.49 14.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 62.3 m -99.48 115.49 29.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.425 ' CD2' ' HB2' ' A' ' 56' ' ' ALA . 53.2 m0 -112.45 159.23 18.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 51.7 t -115.28 115.73 50.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -117.57 -162.31 12.44 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.426 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 33' ' ' THR . 5.4 tt0 -147.46 123.06 10.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 0.0 110.947 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.51 HD13 HG12 ' A' ' 32' ' ' ILE . 5.1 tp -149.83 147.84 28.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.0 m120 46.75 35.65 3.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.82 31.81 79.35 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.434 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.3 mt -128.97 129.24 45.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.828 0.347 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -114.18 106.82 14.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -147.49 -168.88 14.36 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.402 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.455 ' CE2' ' HG2' ' A' ' 23' ' ' GLU . 17.1 p-90 -101.77 166.5 10.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.841 0.353 . . . . 0.0 110.898 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 6.9 p90 -174.53 151.97 1.63 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.581 0.705 . . . . 0.0 110.915 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 114.06 3.58 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.716 2.277 . . . . 0.0 112.33 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.425 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -57.13 -34.59 68.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.1 pttt -53.28 -32.0 46.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -69.1 -30.74 69.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.503 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 4.8 m -112.87 176.02 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -128.75 130.01 46.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.1 t -63.5 150.74 9.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.409 HD21 ' HB3' ' A' ' 11' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.526 ' NE ' ' CG1' ' A' ' 61' ' ' VAL . 17.2 ttt180 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.819 0.343 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.2 mtt-85 -142.23 133.17 25.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.449 ' HB2' HD11 ' A' ' 34' ' ' ILE . . . -115.58 143.31 45.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -99.66 132.2 45.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.98 105.97 7.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.7 mt -65.85 -18.48 65.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -156.83 171.35 20.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -81.34 135.45 35.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -123.59 137.17 54.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -107.5 100.87 10.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.416 ' HB3' ' N ' ' A' ' 25' ' ' GLY . 16.5 ptt85 -60.08 127.72 33.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.91 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -84.94 -58.79 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.866 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -94.25 159.46 15.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.58 -36.98 67.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -63.49 -28.05 69.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.401 ' CD ' ' CZ2' ' A' ' 53' ' ' TRP . 4.3 mm-40 -75.6 132.62 40.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 36.9 tp -97.68 107.94 20.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.416 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -81.44 157.86 38.91 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.427 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -159.32 179.71 8.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.875 0.369 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -119.66 168.97 10.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -65.6 139.03 58.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 63.48 39.2 9.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -114.44 134.58 54.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.3 mm -87.7 127.82 40.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.096 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.412 HG12 HD22 ' A' ' 47' ' ' LEU . 27.1 mt -124.08 124.97 70.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.18 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.489 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 98.6 m -71.38 132.61 45.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.449 HD11 ' HB2' ' A' ' 10' ' ' ALA . 17.9 mt -95.82 112.39 28.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.1 mm -86.52 -63.32 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.176 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -131.59 162.7 29.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -126.84 84.62 2.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -51.82 -52.65 47.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 41' ' ' HIS . 0.2 OUTLIER -136.7 140.18 42.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.855 179.885 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -38.54 -27.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.475 ' N ' ' O ' ' A' ' 39' ' ' ASP . 11.7 m-70 -93.52 -60.48 1.76 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 90.4 m -84.33 112.47 20.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.812 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.6 m0 -111.19 161.33 16.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.1 t -118.33 117.03 53.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.489 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -120.1 -163.55 12.23 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.501 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -141.25 123.7 15.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.876 0.369 . . . . 0.0 110.952 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.412 HD22 HG12 ' A' ' 32' ' ' ILE . 10.3 tp -153.22 145.56 23.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.951 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 55.61 29.06 12.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.06 23.88 77.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.456 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.2 mt -121.27 163.77 18.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.751 0.31 . . . . 0.0 110.939 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.4 mtm180 -142.32 112.06 6.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -153.87 -170.64 20.1 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.444 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.401 ' CZ2' ' CD ' ' A' ' 23' ' ' GLU . 19.1 p-90 -96.93 163.79 12.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -171.53 151.55 2.97 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.68 0.752 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.94 119.78 6.66 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.628 2.219 . . . . 0.0 112.408 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.64 -35.94 81.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.038 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.14 -28.27 10.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.972 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -74.22 -33.7 63.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.811 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.8 m -108.73 177.68 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.111 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -133.61 129.73 37.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.526 ' CG1' ' NE ' ' A' ' 8' ' ' ARG . 42.6 t -63.74 150.48 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.186 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 62.8 mtt-85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.86 0.362 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -143.79 145.91 32.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -127.9 147.6 50.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.104 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.409 ' HD2' ' C ' ' A' ' 11' ' ' LYS . 4.5 tmmm? -100.67 127.48 47.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.73 103.28 2.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.5 HD21 ' CB ' ' A' ' 60' ' ' GLU . 13.0 mt -63.82 -22.08 66.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -152.01 172.35 16.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.965 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.31 147.08 34.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -135.6 130.51 34.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -106.95 92.98 4.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.441 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 8.4 ptt180 -44.09 120.05 1.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -95.83 26.4 4.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -164.09 141.79 7.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.804 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -49.41 -31.8 10.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -81.18 -43.32 19.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.419 ' CD ' ' CZ2' ' A' ' 53' ' ' TRP . 4.1 mm-40 -49.08 137.98 12.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.1 tp -96.36 111.39 23.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.58 150.52 22.56 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.453 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.429 ' CB ' HD11 ' A' ' 32' ' ' ILE . 2.3 p90 -150.11 -177.5 5.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.831 0.348 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -127.52 168.02 15.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -60.0 139.35 57.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 62.13 44.1 8.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -119.71 134.29 55.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.805 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.9 mm -92.47 128.56 43.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.429 HD11 ' CB ' ' A' ' 26' ' ' PHE . 17.8 mt -124.61 126.05 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.058 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.486 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 94.4 m -71.84 136.26 46.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.125 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 59.1 mt -96.79 113.18 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.1 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.5 mm -87.25 -63.52 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.119 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -132.57 161.52 33.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -118.69 81.4 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.8 mtmt -47.53 -49.06 27.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -133.8 -175.77 3.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.855 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -78.27 -36.53 46.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -95.17 -35.49 11.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.2 m -97.38 116.62 29.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.7 m0 -115.37 155.6 27.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 52' ' ' GLY . 84.4 t -113.6 121.63 66.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.486 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -129.58 -169.35 12.52 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.408 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -129.78 138.13 50.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.918 0.39 . . . . 0.0 110.82 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.9 tp -166.62 148.55 6.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 47.02 36.61 4.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.84 29.5 75.19 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.536 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.0 mt -128.68 158.28 38.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.845 0.355 . . . . 0.0 110.844 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.8 mtm105 -141.8 110.86 6.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.458 ' O ' HG13 ' A' ' 44' ' ' VAL . . . -154.08 -167.47 16.23 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.419 ' CZ2' ' CD ' ' A' ' 23' ' ' GLU . 12.4 p-90 -96.84 165.71 11.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.803 0.335 . . . . 0.0 110.927 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -172.36 152.54 2.74 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.712 0.768 . . . . 0.0 110.813 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 109.64 2.35 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.679 2.253 . . . . 0.0 112.35 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.83 -35.47 61.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.177 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.62 -34.01 49.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -67.03 -26.99 67.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.0 m -115.62 171.37 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.195 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.5 ' CB ' HD21 ' A' ' 13' ' ' LEU . 20.2 tp10 -126.24 136.08 52.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.515 ' O ' HD23 ' A' ' 62' ' ' LEU . 91.5 t -66.86 158.08 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.036 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.515 HD23 ' O ' ' A' ' 61' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.781 0.324 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.9 mtm-85 -142.24 136.58 29.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -120.08 146.1 46.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.051 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -98.82 131.38 44.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.09 119.32 19.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.553 HD21 ' HB2' ' A' ' 60' ' ' GLU . 9.7 mt -77.8 -18.63 56.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -158.11 175.39 13.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.22 133.6 33.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -116.34 130.61 56.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -100.14 101.92 13.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 ptt-85 -70.5 127.73 33.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.532 ' CD2' ' OE1' ' A' ' 23' ' ' GLU . 17.2 p80 -89.12 -38.47 14.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -106.37 145.2 32.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -46.16 -45.09 16.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.23 -48.02 74.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.532 ' OE1' ' CD2' ' A' ' 19' ' ' HIS . 13.1 mt-10 -55.48 118.7 4.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.5 tp -82.56 110.8 17.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.11 167.67 38.09 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -167.12 -177.31 3.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.836 0.351 . . . . 0.0 110.912 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -122.2 164.54 17.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -61.71 141.1 58.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.2 m120 61.9 47.81 5.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -123.92 144.41 49.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.9 mm -96.13 129.28 46.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.192 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.5 mt -126.25 132.77 70.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.478 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 77.2 m -79.73 138.64 37.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.1 mt -98.11 112.77 30.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.3 mm -85.96 -64.58 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.074 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -131.12 164.73 24.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -133.45 102.58 5.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.924 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.467 ' HE2' ' N ' ' A' ' 38' ' ' LYS . 1.0 OUTLIER -74.09 -58.23 3.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -117.53 167.91 10.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -61.86 -31.49 71.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -99.34 -48.52 4.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.427 ' HG ' ' HZ3' ' A' ' 53' ' ' TRP . 73.9 m -79.92 110.98 15.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.7 m0 -117.4 163.84 15.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 52' ' ' GLY . 99.5 t -120.17 120.64 63.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.478 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -124.01 -171.98 13.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.495 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -135.88 123.14 21.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.926 0.393 . . . . 0.0 110.862 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.7 tp -152.72 152.29 31.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.5 m120 48.42 31.13 2.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.8 29.15 72.65 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.466 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.7 mt -126.75 158.98 35.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.885 0.374 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 -138.24 118.48 13.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.407 ' O ' HG13 ' A' ' 44' ' ' VAL . . . -161.92 -166.15 20.15 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.448 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.427 ' HZ3' ' HG ' ' A' ' 42' ' ' CYS . 7.4 p-90 -102.78 163.86 11.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.847 0.356 . . . . 0.0 110.92 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -167.26 150.46 5.99 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.655 0.741 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.77 108.64 2.13 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.665 2.243 . . . . 0.0 112.316 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.8 -28.45 56.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.194 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.6 pttt -57.21 -24.12 52.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -78.01 -32.48 51.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.6 m -109.59 171.29 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.553 ' HB2' HD21 ' A' ' 13' ' ' LEU . 23.7 tt0 -125.48 134.31 52.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.82 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.9 t -68.22 150.96 10.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.8 mtt-85 . . . . . 0 C--O 1.233 0.233 0 CA-C-O 120.807 0.337 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.425 ' O ' HD12 ' A' ' 62' ' ' LEU . 24.7 mtt180 -145.97 132.94 20.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.838 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.449 ' HB2' HD11 ' A' ' 34' ' ' ILE . . . -114.03 141.23 47.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 11' ' ' LYS . 4.2 tmmm? -98.67 131.89 44.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.97 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.671 ' HB3' ' H ' ' A' ' 30' ' ' ASP . . . -73.71 131.47 41.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.484 ' HB2' HD23 ' A' ' 14' ' ' LEU . 66.6 mt -87.58 -28.9 21.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.484 HD23 ' HB2' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -146.64 -175.53 4.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.424 ' CG ' ' O ' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -84.55 118.04 24.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.874 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -111.4 105.16 13.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -89.28 107.89 19.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.459 ' HB3' ' N ' ' A' ' 25' ' ' GLY . 18.0 ptt-85 -62.02 123.97 19.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.1 p-80 -85.88 -31.55 22.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -114.51 151.2 33.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -51.1 -40.58 58.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.39 -45.83 91.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.476 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 9.8 mt-10 -57.09 138.6 54.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.0 tp -101.01 108.14 19.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.459 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -82.67 158.75 37.54 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.473 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.46 ' CG ' HD11 ' A' ' 32' ' ' ILE . 8.6 p90 -165.2 160.24 18.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.858 0.361 . . . . 0.0 110.898 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -92.12 174.73 7.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -68.37 140.9 55.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 59.81 37.97 21.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.671 ' H ' ' HB3' ' A' ' 12' ' ' ALA . 1.0 OUTLIER -106.12 129.84 54.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.9 mm -82.99 131.84 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.46 HD11 ' CG ' ' A' ' 26' ' ' PHE . 14.6 mt -130.65 130.35 64.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.457 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 67.7 m -74.88 135.0 41.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.449 HD11 ' HB2' ' A' ' 10' ' ' ALA . 66.7 mt -95.71 112.44 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.6 mm -87.88 -63.44 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.188 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -135.3 161.59 34.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -118.21 124.84 48.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.3 mttm -90.47 -63.45 1.27 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -128.2 176.23 7.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.788 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -62.96 -38.9 92.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -106.59 20.6 18.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 79.5 m -147.92 108.23 4.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.1 m0 -119.51 156.67 29.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 93.6 t -112.17 119.69 60.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.457 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -124.55 -167.17 12.6 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -137.23 126.41 24.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.85 0.357 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.3 tp -155.85 150.14 25.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 49.64 29.88 3.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.32 32.54 68.46 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.503 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.7 mt -130.28 164.35 24.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.707 0.289 . . . . 0.0 111.041 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 -142.33 107.9 5.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -150.21 -174.94 21.86 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.476 ' CE2' ' HG2' ' A' ' 23' ' ' GLU . 12.7 p-90 -92.94 168.86 10.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -174.49 152.18 1.67 Allowed Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 121.684 0.754 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 114.93 3.85 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.773 2.316 . . . . 0.0 112.362 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.74 -41.71 67.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.165 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.52 -39.49 34.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -62.15 -26.85 68.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.0 m -116.18 176.37 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.157 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -130.76 131.78 44.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.6 t -69.73 150.17 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.181 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.425 HD12 ' O ' ' A' ' 9' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 34.5 mtt180 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.788 0.327 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.9 mtt180 -148.74 133.56 17.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -115.69 164.72 13.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.5 ttpp -117.03 134.89 54.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.814 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.456 ' HA ' HG12 ' A' ' 59' ' ' VAL . . . -80.43 119.45 23.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.015 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.416 HD21 ' HB2' ' A' ' 60' ' ' GLU . 5.8 mt -81.05 -9.68 59.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.965 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -162.31 -179.85 7.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.83 142.84 29.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.944 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -137.25 115.85 12.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -92.29 105.2 17.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.481 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 24.9 ptt-85 -50.89 108.79 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.905 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -59.79 -59.21 5.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -89.2 142.68 27.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -44.97 -32.25 1.57 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.792 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -73.07 -46.12 53.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.77 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -44.15 154.19 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.974 0.416 . . . . 0.0 110.83 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.2 tp -107.29 117.37 33.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.419 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -98.8 138.86 14.12 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.437 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.671 ' CG ' HD11 ' A' ' 32' ' ' ILE . 0.8 OUTLIER -134.28 -178.2 4.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 0.0 110.905 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -123.39 166.69 14.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -61.53 135.77 57.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 63.57 43.24 5.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -118.84 147.22 44.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.956 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.422 ' O ' HD13 ' A' ' 47' ' ' LEU . 32.3 mm -97.74 130.71 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.119 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.671 HD11 ' CG ' ' A' ' 26' ' ' PHE . 22.2 mt -126.75 126.29 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.069 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.49 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 93.6 m -70.06 138.97 52.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.6 mt -101.48 110.7 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.144 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.9 mm -87.63 -64.57 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t -127.23 173.4 9.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -132.43 79.42 1.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -44.95 -66.12 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -125.49 156.89 38.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -52.54 -16.71 0.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 -108.23 -50.1 3.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 71.2 m -88.74 117.21 27.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.6 m0 -116.01 154.42 29.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.5 t -113.51 119.57 61.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -125.55 -169.56 12.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.534 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -131.62 132.65 44.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.877 0.37 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.613 HD22 HG12 ' A' ' 32' ' ' ILE . 12.7 tp -167.26 149.06 5.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.3 m120 55.24 25.55 7.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.54 19.84 79.75 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.0 mt -122.42 158.3 30.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.756 0.313 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -136.55 107.45 6.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.58 -169.62 15.59 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.515 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 17.2 p-90 -98.89 162.42 13.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.789 0.328 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -166.36 152.89 8.42 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.667 0.746 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 122.0 8.7 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.381 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.86 -27.98 67.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -63.85 -9.16 13.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -93.19 -23.83 18.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.456 HG12 ' HA ' ' A' ' 12' ' ' ALA . 4.9 m -120.39 172.82 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.109 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.416 ' HB2' HD21 ' A' ' 13' ' ' LEU . 12.0 tp10 -127.8 130.78 49.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.8 t -68.36 150.45 10.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 82.5 mtt-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.768 0.318 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.547 ' O ' HD12 ' A' ' 62' ' ' LEU . 67.0 mtt180 -144.95 129.88 18.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.826 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.511 ' HB1' ' CG2' ' A' ' 59' ' ' VAL . . . -109.02 141.48 41.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -99.48 125.85 45.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.466 ' HB3' ' H ' ' A' ' 30' ' ' ASP . . . -68.75 119.95 13.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.051 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.508 ' HB2' HD23 ' A' ' 14' ' ' LEU . 22.7 mt -78.62 -14.2 59.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.508 HD23 ' HB2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -157.51 179.36 9.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -86.21 103.53 14.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.547 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 25.7 t80 -88.48 124.89 34.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -102.05 100.32 10.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.419 ' HB3' ' N ' ' A' ' 25' ' ' GLY . 9.8 ptt85 -54.18 128.14 29.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -79.69 -44.89 19.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -121.07 158.45 27.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -46.32 -42.24 14.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -55.59 -46.92 77.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.778 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.555 ' OE2' ' CH2' ' A' ' 53' ' ' TRP . 4.2 mm-40 -61.47 137.74 58.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.4 tp -94.84 106.16 18.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.969 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.419 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -81.75 142.35 22.55 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.536 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.547 ' CE1' ' HB2' ' A' ' 16' ' ' PHE . 7.0 p90 -150.95 161.41 42.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.884 0.373 . . . . 0.0 110.868 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.457 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -97.86 -177.25 3.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -70.79 142.89 51.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 55.46 40.29 31.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.466 ' H ' ' HB3' ' A' ' 12' ' ' ALA . 1.0 OUTLIER -107.19 123.43 48.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.494 ' O ' ' CD1' ' A' ' 47' ' ' LEU . 34.4 mm -77.03 134.63 28.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.179 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.5 HG12 HD13 ' A' ' 47' ' ' LEU . 17.8 mt -134.65 128.09 50.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.177 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.492 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 89.0 m -74.61 136.94 42.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.18 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 48.7 mt -96.67 112.6 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 18.8 mm -87.51 -65.04 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.154 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -131.29 163.44 27.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.819 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -118.43 80.72 1.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.896 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -49.15 -52.85 23.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.977 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -130.91 167.28 19.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -63.5 -36.38 83.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.793 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -95.28 -35.19 11.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 78.6 m -96.82 121.7 38.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.6 m0 -119.23 153.35 35.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.7 t -112.4 114.33 46.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.492 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -121.12 -168.73 13.58 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -134.37 131.13 37.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.873 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.5 HD13 HG12 ' A' ' 32' ' ' ILE . 8.1 tp -153.44 142.77 21.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 44.15 39.82 3.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.53 32.52 83.6 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.422 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 33.2 mt -128.4 131.76 48.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.847 0.356 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.5 mtm-85 -116.8 109.31 16.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.803 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -152.87 -175.55 24.46 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.451 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.555 ' CH2' ' OE2' ' A' ' 23' ' ' GLU . 23.4 p-90 -94.5 167.2 11.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.842 0.353 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.9 p90 -173.43 152.29 2.12 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.608 0.718 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 117.79 5.29 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.704 2.269 . . . . 0.0 112.375 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.95 -37.98 77.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -53.83 -36.06 62.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -63.48 -34.47 77.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.855 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.511 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 7.5 m -108.09 175.3 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.157 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -125.74 135.12 51.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 20.0 t -69.7 144.21 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.547 HD12 ' O ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.969 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.6 mtm-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.84 0.353 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.527 ' O ' HD12 ' A' ' 62' ' ' LEU . 73.9 mtt180 -150.91 130.02 12.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -111.11 159.18 18.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.6 ttpp -112.09 129.7 56.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.85 115.01 12.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.179 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.408 HD21 ' HB2' ' A' ' 60' ' ' GLU . 10.0 mt -74.52 -19.04 60.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -153.04 -177.02 6.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.991 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.97 138.89 31.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.784 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.421 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 57.2 t80 -133.71 118.28 17.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 18' ' ' ARG . 8.2 pt-20 -101.49 88.56 3.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' GLU . 17.1 ptt-85 -37.23 127.6 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -86.46 -40.53 15.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -98.6 169.39 9.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -69.47 -37.96 77.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -71.43 -36.86 71.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.816 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -56.59 139.7 49.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.4 tp -98.9 122.61 42.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.78 163.93 24.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.427 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.421 ' CE1' ' HB3' ' A' ' 16' ' ' PHE . 5.6 p90 -169.15 176.15 5.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.898 0.38 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -119.08 160.85 21.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.8 tttt -56.42 142.22 39.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 60.52 47.65 8.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.828 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -123.15 137.96 54.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 49.3 mm -90.76 130.79 39.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.095 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 17.8 mt -127.43 132.72 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.082 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 93.2 m -81.32 128.54 33.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.145 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.8 mt -87.01 120.84 37.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.183 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.0 mm -94.34 -61.99 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.069 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t -139.82 133.38 30.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -102.33 88.79 3.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -53.17 -69.3 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -107.43 172.46 6.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.964 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -63.4 -27.24 69.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -105.93 -47.48 3.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.1 m -80.16 110.14 15.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.47 ' CE3' ' HB2' ' A' ' 56' ' ' ALA . 54.7 m0 -118.21 161.03 20.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.945 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.7 t -120.28 115.33 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.031 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.75 -159.02 12.31 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.437 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -147.93 123.73 10.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.859 0.361 . . . . 0.0 110.914 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.9 tp -155.82 151.29 27.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.4 m120 51.62 30.43 6.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.67 23.87 76.52 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.549 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.2 mt -122.27 157.37 31.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.775 0.321 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -138.13 109.42 6.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -151.79 -176.83 24.93 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.524 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 12.4 p-90 -91.73 164.22 13.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.829 0.347 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.408 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 9.5 p90 -171.39 150.5 2.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.75 0.786 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.481 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 53.6 Cg_endo -69.83 106.4 1.67 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.759 2.306 . . . . 0.0 112.259 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.47 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . . . -51.36 -34.91 36.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.162 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.96 -28.56 6.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.481 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 10.1 m-85 -72.04 -34.36 68.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.883 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.9 m -111.29 177.36 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.113 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.408 ' HB2' HD21 ' A' ' 13' ' ' LEU . 47.5 tp10 -129.14 138.33 51.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.487 HG12 ' N ' ' A' ' 62' ' ' LEU . 41.2 t -71.25 158.05 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.527 HD12 ' O ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.402 ' HB3' HD12 ' A' ' 34' ' ' ILE . 23.1 ttt180 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.858 0.361 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.493 ' O ' HD12 ' A' ' 62' ' ' LEU . 56.3 mtt180 -150.79 127.9 11.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.84 140.41 48.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.104 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -93.69 133.56 36.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.87 131.82 39.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.051 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.2 mt -91.75 -19.73 22.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -154.73 169.6 23.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.982 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.01 129.58 35.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -132.31 116.42 16.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -98.37 98.49 9.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.452 ' HB3' ' N ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -40.29 147.84 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.899 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -105.95 -52.47 2.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -85.33 153.74 22.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -53.63 -26.23 21.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.832 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -84.56 -44.06 13.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.842 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.529 ' CD ' ' CZ2' ' A' ' 53' ' ' TRP . 5.2 mm-40 -48.62 136.02 13.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.4 tp -101.41 124.85 47.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.452 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -98.76 160.83 20.27 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -161.9 177.77 9.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.802 0.334 . . . . 0.0 110.872 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -120.66 166.1 14.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.808 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.9 tttp -60.25 143.33 52.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 60.43 43.49 13.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.948 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -120.61 141.06 50.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.838 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.501 ' O ' HD13 ' A' ' 47' ' ' LEU . 8.9 mm -96.44 136.29 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.468 HG23 ' O ' ' A' ' 46' ' ' GLU . 14.3 mt -132.79 126.07 53.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.481 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 91.7 m -73.94 128.69 36.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.402 HD12 ' HB3' ' A' ' 8' ' ' ARG . 18.2 mt -89.51 117.72 33.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.155 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 18.9 mm -90.61 -64.15 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -135.73 113.86 11.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -82.18 88.36 6.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.5 tttt -41.41 -55.63 2.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.973 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.583 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -148.78 178.89 8.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.844 179.801 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -67.52 -3.65 9.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -117.51 -49.38 2.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.797 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -98.58 117.65 33.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.583 ' CD1' ' O ' ' A' ' 39' ' ' ASP . 53.9 m0 -118.53 152.26 36.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.5 t -117.42 108.2 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.188 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.481 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -118.69 -159.11 11.0 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.468 ' O ' HG23 ' A' ' 32' ' ' ILE . 8.2 tm-20 -144.07 142.64 30.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.925 0.393 . . . . 0.0 110.77 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 31' ' ' ILE . 14.6 tp -167.45 136.05 2.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 51.94 38.69 24.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.434 ' O ' HD23 ' A' ' 50' ' ' LEU . . . 65.17 34.52 89.86 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.504 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 49' ' ' GLY . 26.4 mt -133.56 126.48 31.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.898 0.38 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 51' ' ' ARG . 8.6 ttp-105 -117.7 121.99 42.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -166.27 -173.35 34.59 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.58 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.529 ' CZ2' ' CD ' ' A' ' 23' ' ' GLU . 10.3 p-90 -92.47 164.96 13.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.876 0.37 . . . . 0.0 110.897 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.5 p90 -173.2 152.69 2.29 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.68 0.752 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 110.78 2.66 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.636 2.224 . . . . 0.0 112.332 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.495 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -52.35 -41.77 63.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.117 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.4 ptmt -45.13 -41.74 8.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -59.12 -33.17 70.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.9 m -113.81 -179.01 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.048 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -135.19 136.52 41.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.504 HG12 ' N ' ' A' ' 62' ' ' LEU . 77.3 t -67.96 157.59 6.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.504 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.4 mtt85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.797 0.332 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.471 ' O ' HD12 ' A' ' 62' ' ' LEU . 36.8 mtm180 -150.13 136.45 18.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.604 ' HB2' HD11 ' A' ' 34' ' ' ILE . . . -112.79 146.61 38.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.104 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.87 126.74 52.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.32 114.61 10.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.54 HD11 ' OE1' ' A' ' 60' ' ' GLU . 36.1 mt -73.25 -18.71 61.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.506 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -154.01 -176.24 5.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.824 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.61 150.19 23.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -150.47 124.39 9.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -105.33 97.59 7.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.05 160.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.2 m80 -115.77 -53.27 2.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 22' ' ' ASP . 9.3 t70 -87.01 128.76 35.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.876 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -38.32 -26.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.956 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 20' ' ' ASP . 38.8 m-20 -74.57 -46.14 40.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.533 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 43.2 mt-10 -54.01 157.58 2.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 46.0 tp -119.32 116.72 26.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.09 172.62 32.34 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.531 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.519 ' CG ' HD11 ' A' ' 32' ' ' ILE . 4.9 p90 -170.57 174.38 5.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 0.0 110.98 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -114.86 169.88 8.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.802 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.6 tttt -59.1 141.99 52.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 59.77 47.03 10.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -118.33 126.01 51.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.5 mm -87.09 117.55 31.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.074 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.519 HD11 ' CG ' ' A' ' 26' ' ' PHE . 17.7 mt -116.06 127.03 73.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.2 m -72.3 123.22 22.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.604 HD11 ' HB2' ' A' ' 10' ' ' ALA . 27.5 mt -82.63 121.27 35.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.0 mm -94.99 -56.48 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -143.77 173.87 11.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -133.61 91.99 2.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -59.22 -41.82 89.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -141.66 147.34 37.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -48.16 -36.91 14.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 -89.03 -32.76 17.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 93.5 m -106.75 114.11 28.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.467 ' CD2' ' HB2' ' A' ' 56' ' ' ALA . 48.8 m0 -108.0 170.19 8.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' ' 52' ' ' GLY . 48.1 t -127.73 122.8 59.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.047 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -126.22 -160.17 10.51 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.527 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -146.18 123.71 11.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.504 HD13 HG12 ' A' ' 32' ' ' ILE . 5.6 tp -154.4 143.81 21.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 17.1 m120 58.06 29.03 17.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.71 20.34 79.63 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.435 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.7 mt -121.25 150.68 41.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.802 0.334 . . . . 0.0 110.953 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -133.08 112.38 11.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.591 ' O ' HG13 ' A' ' 44' ' ' VAL . . . -151.48 -168.98 16.56 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.536 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.533 ' CE2' ' HG2' ' A' ' 23' ' ' GLU . 27.6 p-90 -97.11 165.21 12.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.776 0.322 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.425 ' C ' ' CD1' ' A' ' 54' ' ' PHE . 7.4 p90 -174.59 152.4 1.66 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.479 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 53.6 Cg_endo -69.68 118.19 5.53 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.761 2.308 . . . . 0.0 112.349 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.467 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -59.32 -30.3 68.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.086 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.23 -27.57 55.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.479 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 15.3 m-85 -78.56 -18.71 54.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.438 HG22 ' HA ' ' A' ' 56' ' ' ALA . 29.0 m -121.87 174.97 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.54 ' OE1' HD11 ' A' ' 13' ' ' LEU . 23.7 tp10 -128.15 135.63 50.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.429 HG22 ' CZ3' ' A' ' 43' ' ' TRP . 15.0 t -72.31 145.94 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 9' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.61 ' HB3' HD12 ' A' ' 34' ' ' ILE . 20.3 ttt180 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.79 0.329 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -143.44 133.41 24.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.776 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -117.82 127.77 54.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.538 ' HB3' HD21 ' A' ' 62' ' ' LEU . 27.3 ttpt -86.32 125.95 33.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.837 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.493 ' HB3' ' H ' ' A' ' 30' ' ' ASP . . . -67.13 132.97 48.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.425 ' HB2' HD23 ' A' ' 14' ' ' LEU . 42.8 mt -85.93 -26.54 25.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.425 HD23 ' HB2' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -149.22 -176.33 5.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.954 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.42 ' O ' ' CG ' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -80.57 118.76 22.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.825 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.586 ' CB ' ' CE1' ' A' ' 26' ' ' PHE . 68.0 t80 -109.68 111.36 22.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.795 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -93.84 106.29 18.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.456 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 9.8 ptt180 -56.62 120.97 8.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -76.17 -53.31 8.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 21' ' ' ASP . 1.3 m-20 -97.29 142.39 29.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' ASP . 8.9 t70 -38.39 -41.11 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -63.15 -48.33 78.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.456 ' CB ' ' HB2' ' A' ' 18' ' ' ARG . 21.0 mt-10 -44.86 137.79 3.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 47.6 tp -100.12 106.68 18.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.424 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -79.78 169.15 53.05 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.46 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.586 ' CE1' ' CB ' ' A' ' 16' ' ' PHE . 8.3 p90 -173.04 161.13 4.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.895 0.378 . . . . 0.0 110.808 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -92.96 174.98 6.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.892 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.2 tttt -68.97 139.47 55.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 56.34 44.12 25.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.493 ' H ' ' HB3' ' A' ' 12' ' ' ALA . 1.5 m-20 -108.72 141.36 40.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 51.3 mm -87.45 129.28 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.473 HG12 HD13 ' A' ' 47' ' ' LEU . 17.8 mt -130.8 132.74 63.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.079 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.492 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 52.2 m -78.45 137.38 37.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.61 HD12 ' HB3' ' A' ' 8' ' ' ARG . 67.2 mt -97.94 110.77 26.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.8 mm -84.38 -61.84 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -140.46 158.49 43.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -109.63 132.87 53.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.485 ' HG3' HG23 ' A' ' 44' ' ' VAL . 38.6 mttm -99.63 -66.06 0.93 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -126.12 174.01 8.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.829 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -54.72 -49.63 70.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -103.64 27.78 7.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.782 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 43.1 m -146.55 105.62 3.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.8 m0 -118.09 154.03 32.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.919 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' ' 52' ' ' GLY . 73.5 t -110.76 115.11 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.492 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -120.05 -170.31 14.31 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.514 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -134.59 123.0 23.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.829 0.347 . . . . 0.0 110.917 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.473 HD13 HG12 ' A' ' 32' ' ' ILE . 5.2 tp -153.15 154.8 35.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.1 m120 46.84 34.08 2.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.77 33.43 85.89 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.39 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 44.5 mt -129.13 163.16 26.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.813 0.339 . . . . 0.0 110.962 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.7 ttp85 -143.14 106.55 4.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.83 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.597 ' O ' HG13 ' A' ' 44' ' ' VAL . . . -152.78 -165.36 13.27 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.441 ' NE1' ' HG2' ' A' ' 23' ' ' GLU . 5.7 p-90 -100.58 167.47 10.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.8 0.333 . . . . 0.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -171.25 150.92 2.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.635 0.731 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.401 ' HD2' ' CZ ' ' A' ' 16' ' ' PHE . 53.8 Cg_endo -69.73 110.43 2.55 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.04 -32.71 48.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.051 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 58' ' ' PHE . 2.5 ptmt -56.0 -30.75 62.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.953 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.458 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 9.8 m-85 -72.8 -26.6 61.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.7 m -114.78 174.54 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -130.17 129.87 44.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.584 ' O ' HD23 ' A' ' 62' ' ' LEU . 90.1 t -57.81 157.95 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' ' 61' ' ' VAL . 1.1 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.421 ' HB3' HD12 ' A' ' 34' ' ' ILE . 30.2 mtm-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.838 0.351 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.9 mtm180 -147.54 130.55 16.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -113.23 142.4 45.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.7 ttpp -95.02 125.66 39.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.422 ' HB2' ' CD2' ' A' ' 26' ' ' PHE . . . -69.41 135.2 49.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.097 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.0 mt -85.23 -27.28 26.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.581 HD11 ' CD2' ' A' ' 58' ' ' PHE . 3.7 pp -147.05 -175.51 4.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.452 ' CG ' ' O ' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -89.02 115.88 26.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.822 179.86 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -109.02 107.29 17.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 18' ' ' ARG . 44.4 mt-10 -88.12 88.92 7.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.452 ' HB3' ' N ' ' A' ' 25' ' ' GLY . 6.0 ptt180 -34.51 121.36 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -74.48 -43.8 54.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -105.75 172.15 6.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.93 -47.06 82.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -57.79 -46.81 84.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.541 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 31.9 mt-10 -53.27 139.31 29.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.94 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.7 tp -99.66 118.73 36.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.452 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -91.97 137.33 13.7 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.451 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.462 ' CG ' HD11 ' A' ' 32' ' ' ILE . 9.3 p90 -143.45 157.17 44.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.458 ' N ' ' HD3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -87.37 175.93 7.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.828 -179.882 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -70.38 134.54 47.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.807 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 61.34 42.78 11.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.04 129.33 55.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 22.7 mm -81.86 127.52 39.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.746 HG23 ' O ' ' A' ' 46' ' ' GLU . 13.0 mt -123.29 143.51 36.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.157 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 19.4 m -86.63 111.23 20.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.421 HD12 ' HB3' ' A' ' 8' ' ' ARG . 23.6 mt -68.17 112.63 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.9 mm -82.43 -59.2 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.8 t -143.37 176.42 9.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -127.92 76.41 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.6 tptt -47.7 -46.85 29.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -140.1 139.16 35.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -41.08 -39.7 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -83.33 -46.69 12.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 98.9 m -99.27 116.95 32.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 52.7 m0 -108.19 177.04 4.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.0 t -127.29 130.2 70.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.059 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.28 175.93 20.62 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.746 ' O ' HG23 ' A' ' 32' ' ' ILE . 10.6 tt0 -128.9 152.19 48.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.912 0.387 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.41 ' N ' ' HG2' ' A' ' 46' ' ' GLU . 12.1 tp -170.82 133.3 0.93 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.971 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 34.1 m120 55.69 34.4 23.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.44 8.31 85.72 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 mt -125.57 128.81 48.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.824 0.345 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.44 ' HB3' ' CB ' ' A' ' 46' ' ' GLU . 22.0 ptt85 -128.37 159.14 36.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.24 -174.21 46.54 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.541 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.541 ' CE2' ' HG2' ' A' ' 23' ' ' GLU . 16.8 p-90 -84.07 156.2 22.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.922 0.391 . . . . 0.0 110.873 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -171.23 152.33 3.37 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.645 0.735 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.474 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 53.4 Cg_endo -69.82 111.6 2.87 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.49 -38.3 53.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.034 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -50.46 -36.33 32.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.581 ' CD2' HD11 ' A' ' 14' ' ' LEU . 10.0 m-85 -65.96 -27.99 68.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.777 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.4 m -113.79 173.09 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -127.37 138.57 53.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.455 HG12 ' N ' ' A' ' 62' ' ' LEU . 64.9 t -70.71 155.39 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.108 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.455 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.3 mtt85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.876 0.369 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.458 ' HD2' ' CG2' ' A' ' 31' ' ' ILE . 19.4 mtm180 -147.43 142.14 26.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.825 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -126.02 135.8 52.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -87.88 130.82 34.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.74 106.7 6.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.173 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.447 HD21 ' HB2' ' A' ' 60' ' ' GLU . 11.2 mt -62.07 -33.01 73.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -144.62 174.79 10.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.949 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -80.45 144.34 32.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -142.56 118.13 10.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -99.37 98.01 8.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.63 153.61 0.78 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.822 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -108.44 -51.93 2.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -90.28 141.72 28.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -42.68 -36.55 1.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -68.8 -48.81 62.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.43 ' HG2' ' NE1' ' A' ' 53' ' ' TRP . 40.4 mt-10 -51.2 134.57 27.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.802 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.436 ' CD1' ' HB2' ' A' ' 50' ' ' LEU . 38.9 tp -101.13 123.46 45.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.974 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.08 177.14 28.68 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.413 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.558 ' CG ' HD11 ' A' ' 32' ' ' ILE . 3.3 p90 -173.12 178.79 2.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 110.903 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -116.56 175.77 5.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.0 tttm -71.21 141.57 50.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.5 m120 60.06 41.97 16.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.83 144.08 44.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.807 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.458 ' CG2' ' HD2' ' A' ' 9' ' ' ARG . 49.4 mm -95.59 124.28 48.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.558 HD11 ' CG ' ' A' ' 26' ' ' PHE . 28.7 mt -122.18 125.29 72.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.165 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.409 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 51.6 m -73.5 132.9 43.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.172 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.3 mt -94.3 111.37 25.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.086 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.7 mm -84.43 -65.4 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -124.05 153.37 41.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -112.97 79.52 1.24 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.447 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 25.5 tptt -39.29 -48.01 1.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.853 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.447 ' CG ' ' O ' ' A' ' 38' ' ' LYS . 31.5 m-20 -167.08 164.32 15.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -53.43 -15.57 1.1 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -101.01 -56.38 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.4 p -98.8 129.01 45.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.428 ' CH2' ' CG2' ' A' ' 61' ' ' VAL . 49.8 m0 -120.47 163.67 17.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 94.1 t -123.54 117.91 52.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -119.6 -166.45 13.33 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -145.82 125.11 13.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.89 0.376 . . . . 0.0 110.843 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 tp -156.79 147.81 21.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.7 m120 48.26 34.18 4.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.48 ' O ' HD23 ' A' ' 50' ' ' LEU . . . 68.55 31.18 73.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.442 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' ' 49' ' ' GLY . 21.4 mt -130.69 128.5 41.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.781 0.324 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -122.15 106.9 11.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -149.66 -166.49 13.32 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.43 ' NE1' ' HG2' ' A' ' 23' ' ' GLU . 6.2 p-90 -94.94 163.67 13.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.866 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -171.65 152.81 3.24 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.594 0.711 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 111.34 2.8 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.75 2.3 . . . . 0.0 112.283 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 59' ' ' VAL . . . -55.15 -42.6 73.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -43.82 -36.63 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -65.06 -35.89 82.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.42 ' N ' ' O ' ' A' ' 56' ' ' ALA . 13.0 m -107.97 175.33 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.447 ' HB2' HD21 ' A' ' 13' ' ' LEU . 26.8 tp10 -131.02 127.65 38.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.527 HG12 ' N ' ' A' ' 62' ' ' LEU . 80.3 t -61.23 158.99 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.527 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.961 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.775 0.321 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.8 mtm180 -143.82 135.61 26.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.81 142.92 46.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -94.12 131.61 39.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.95 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.98 103.7 8.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.031 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.0 mt -61.75 -33.59 74.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -145.81 172.52 13.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -74.72 138.22 42.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.853 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -126.99 109.15 11.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -89.77 102.96 15.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 ptt180 -64.33 125.78 25.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.823 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -76.45 -47.0 24.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -108.23 143.52 36.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.798 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' ASP . 0.6 OUTLIER -41.6 -55.72 2.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' ASP . 20.6 m-20 -37.21 -53.46 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.82 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.508 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 3.7 mm-40 -55.14 156.51 3.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.1 tp -112.43 108.38 17.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.983 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.35 152.04 26.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.392 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.641 ' CB ' HD11 ' A' ' 32' ' ' ILE . 3.0 p90 -153.9 174.52 14.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.2 mmt85 -113.02 173.52 6.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.789 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -69.96 143.33 52.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.952 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 59.62 42.5 17.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -119.52 142.71 48.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.8 mm -94.14 126.86 46.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.19 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.641 HD11 ' CB ' ' A' ' 26' ' ' PHE . 20.4 mt -124.56 125.79 70.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.471 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 98.9 m -71.19 138.86 49.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.4 mt -99.94 114.45 38.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.6 mm -89.86 -64.07 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.102 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -124.94 160.18 29.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.834 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -135.53 111.0 9.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.4 -46.91 18.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 41' ' ' HIS . 23.2 p-10 -167.73 147.25 4.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.914 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -39.38 -26.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 39' ' ' ASP . 59.6 m170 -69.93 -53.14 19.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.782 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 19.6 m -130.78 135.82 48.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.804 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.505 ' HZ3' HG22 ' A' ' 61' ' ' VAL . 49.4 m0 -122.56 176.18 6.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.627 HG13 ' O ' ' A' ' 52' ' ' GLY . 92.2 t -125.18 125.31 69.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.471 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -129.73 -168.91 12.42 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.503 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -141.72 126.61 18.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 110.92 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.1 tp -156.31 147.66 22.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.0 m120 55.64 33.12 20.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.51 31.36 76.41 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.527 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.6 mt -130.04 162.53 28.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.785 0.326 . . . . 0.0 110.996 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -140.11 107.09 5.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.946 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.627 ' O ' HG13 ' A' ' 44' ' ' VAL . . . -144.38 -157.84 7.37 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.46 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.508 ' CE2' ' HG2' ' A' ' 23' ' ' GLU . 7.7 p-90 -115.45 169.22 9.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.76 0.314 . . . . 0.0 110.934 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.44 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 4.7 p90 -173.5 152.77 2.18 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.637 0.732 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.69 115.67 4.19 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.621 2.214 . . . . 0.0 112.36 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.32 -38.76 71.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.98 -34.11 19.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -67.74 -32.64 73.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.0 m -110.68 179.19 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -131.79 128.54 39.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.505 HG22 ' HZ3' ' A' ' 43' ' ' TRP . 41.1 t -66.41 146.12 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.099 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.777 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.881 0.372 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.3 mtt85 -146.46 147.7 31.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.414 ' HB1' ' CG2' ' A' ' 59' ' ' VAL . . . -131.54 149.72 52.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.154 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.8 ttpp -97.8 128.8 44.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.68 103.19 4.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.192 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.6 mt -64.31 -23.59 67.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.971 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.656 HD12 ' O ' ' A' ' 15' ' ' ASP . 3.9 pp -152.81 176.01 12.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.656 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.2 t0 -82.4 134.26 35.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -120.71 113.51 20.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -90.89 94.16 9.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.407 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 24.6 ptt-85 -43.5 119.11 1.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -88.64 21.74 2.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -162.1 151.92 16.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.3 -26.89 65.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.902 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -86.74 -42.5 13.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -48.94 131.93 18.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.0 tp -89.81 110.63 21.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.72 166.86 29.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.497 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.438 ' CG ' HD11 ' A' ' 32' ' ' ILE . 2.5 p90 -161.89 179.76 7.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.801 0.334 . . . . 0.0 110.898 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -120.97 165.01 15.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.8 tttt -58.14 137.97 56.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 62.34 53.27 2.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -128.35 140.45 51.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.828 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.9 mm -93.47 131.51 40.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.438 HD11 ' CG ' ' A' ' 26' ' ' PHE . 31.8 mt -127.13 136.63 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.451 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 45.1 m -85.14 130.91 34.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.1 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.8 mt -92.74 111.39 24.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.229 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.593 HD11 ' OE1' ' A' ' 46' ' ' GLU . 3.5 mm -83.79 -64.94 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t -133.91 113.8 12.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -72.98 79.55 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.0 tttp -41.02 -47.35 3.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.527 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 2.7 p-10 -173.07 153.44 2.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.424 ' O ' ' CD ' ' A' ' 40' ' ' GLU . 11.1 tm-20 -49.97 -23.22 1.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.15 -34.14 17.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 82.3 m -137.49 122.46 18.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.527 ' CD1' ' O ' ' A' ' 39' ' ' ASP . 44.4 m0 -115.95 155.41 28.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.864 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.763 HG13 ' O ' ' A' ' 52' ' ' GLY . 89.1 t -115.76 115.07 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.101 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.451 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -119.96 -168.38 13.8 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.566 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.593 ' OE1' HD11 ' A' ' 35' ' ' ILE . 6.2 tt0 -136.31 122.89 20.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 0.0 110.879 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.417 HD13 HG12 ' A' ' 32' ' ' ILE . 5.9 tp -154.99 145.35 22.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 21.2 m120 55.94 29.4 14.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.951 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.86 24.69 75.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.454 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.1 mt -124.21 149.39 46.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.791 0.329 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -132.09 116.0 16.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.801 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.763 ' O ' HG13 ' A' ' 44' ' ' VAL . . . -153.49 -154.08 6.62 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.563 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 18.9 p-90 -113.47 155.71 24.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.804 0.335 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -166.46 151.57 7.46 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.746 0.784 . . . . 0.0 110.82 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.582 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 52.7 Cg_endo -69.77 137.29 35.09 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.711 2.274 . . . . 0.0 112.278 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.41 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -79.36 -28.96 41.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.076 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.559 ' HD2' ' CD1' ' A' ' 58' ' ' PHE . 0.3 OUTLIER -59.79 -15.09 17.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.582 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 9.0 m-85 -82.51 -34.92 27.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.414 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 4.5 m -110.85 176.72 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -126.9 131.7 51.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.818 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 22.0 t -68.59 150.19 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.046 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.851 0.357 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.8 mtm-85 -132.54 133.91 44.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.493 ' HB1' ' CG2' ' A' ' 59' ' ' VAL . . . -119.89 128.67 53.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.034 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -84.56 134.18 34.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.588 ' HB3' ' H ' ' A' ' 30' ' ' ASP . . . -71.8 126.3 29.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.1 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.622 ' HB2' HD23 ' A' ' 14' ' ' LEU . 59.4 mt -82.44 -28.25 31.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.622 HD23 ' HB2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -149.85 -178.24 6.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -84.33 119.39 25.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.821 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -116.85 103.71 10.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -87.15 112.58 22.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.31 157.16 38.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -112.15 -51.94 2.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -99.0 144.85 27.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -42.78 -38.38 2.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.93 -42.17 89.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.846 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.528 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 21.7 mt-10 -71.32 138.72 49.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 36.9 tp -108.79 116.28 31.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.39 161.47 27.55 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.476 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.74 ' CB ' HD11 ' A' ' 32' ' ' ILE . 2.9 p90 -160.24 157.55 28.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.715 0.293 . . . . 0.0 110.968 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -91.15 172.01 8.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -66.71 139.44 57.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 61.39 31.96 19.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.588 ' H ' ' HB3' ' A' ' 12' ' ' ALA . 1.2 m-20 -102.7 133.53 47.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.6 mm -90.15 131.43 37.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.74 HD11 ' CB ' ' A' ' 26' ' ' PHE . 23.2 mt -127.84 129.94 69.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.19 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.413 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 53.7 m -73.93 134.49 43.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.084 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 60.6 mt -94.22 114.37 30.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.2 mm -85.97 -60.7 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -139.15 145.96 40.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -98.78 78.88 2.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -44.64 -66.4 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -116.31 177.22 4.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.957 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -69.0 -42.52 76.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -92.71 -37.63 12.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.771 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.469 ' HG ' ' HZ3' ' A' ' 53' ' ' TRP . 85.0 m -94.39 120.98 35.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 52.7 m0 -118.71 160.8 21.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.6 t -114.82 113.77 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.413 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -113.98 -164.39 15.25 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -143.89 123.47 13.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.419 HD13 HG12 ' A' ' 32' ' ' ILE . 5.3 tp -153.92 150.0 27.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 53.15 28.39 6.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.76 28.74 70.32 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.0 mt -127.35 161.79 27.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.797 0.332 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.1 mtt180 -140.05 111.32 7.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.821 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -149.77 -167.48 14.22 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.425 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.528 ' CE2' ' HG2' ' A' ' 23' ' ' GLU . 16.7 p-90 -104.11 159.23 15.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.821 0.343 . . . . 0.0 110.858 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -166.0 152.46 8.61 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.666 0.746 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 115.71 4.21 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.756 2.304 . . . . 0.0 112.363 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.31 -35.93 76.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.052 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.27 -25.5 9.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -77.09 -27.83 54.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.493 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 4.8 m -113.76 169.54 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -122.61 129.76 52.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.823 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 62.0 t -65.55 148.63 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.103 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.2 p -66.76 167.94 10.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.876 0.369 . . . . 0.0 110.805 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -158.96 157.85 32.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.907 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.09 -131.61 1.53 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.476 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 t -91.83 135.64 33.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.93 0.395 . . . . 0.0 110.891 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -118.92 131.18 56.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.865 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.31 -149.52 17.1 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.407 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.2 mtm180 -111.58 169.7 8.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.917 0.389 . . . . 0.0 110.84 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.587 ' O ' HD12 ' A' ' 62' ' ' LEU . 20.2 mtm180 -149.03 128.38 12.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.12 138.1 49.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.2 ttpp -91.95 130.07 37.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.517 ' HB3' ' H ' ' A' ' 30' ' ' ASP . . . -72.83 131.13 41.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.1 mt -89.01 -22.39 23.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.695 HD11 ' CD2' ' A' ' 58' ' ' PHE . 4.4 pp -153.79 175.46 13.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.41 130.83 35.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -128.81 109.44 11.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.835 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -88.95 101.97 14.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.2 ptt85 -49.61 127.91 16.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -82.92 -43.49 16.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -109.22 149.01 30.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -49.54 -28.8 5.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -73.16 -31.54 64.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.759 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.451 ' HG2' ' NE1' ' A' ' 53' ' ' TRP . 24.5 mt-10 -71.98 138.48 48.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.6 tp -101.57 112.01 24.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.95 172.26 47.64 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.531 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -173.9 154.97 2.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.861 0.363 . . . . 0.0 110.86 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -91.27 162.26 14.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -61.76 129.89 43.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.783 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 73.29 34.23 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.517 ' H ' ' HB3' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -102.66 146.63 27.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 41.5 mm -98.25 126.28 51.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 mt -128.87 126.5 64.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.08 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 97.1 m -79.16 121.4 24.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.7 mt -77.48 117.34 22.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.187 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.4 mm -91.21 -63.92 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -131.18 111.28 11.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 38' ' ' LYS . 91.3 mt-30 -77.89 83.19 4.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 37' ' ' GLN . 12.3 tptm -35.12 -48.62 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.964 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.532 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 46.8 m-20 -162.69 178.38 8.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -68.56 -2.79 9.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.899 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -115.23 -46.28 2.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.78 122.88 48.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.532 ' CD1' ' O ' ' A' ' 39' ' ' ASP . 40.8 m0 -118.68 156.2 29.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.9 t -123.34 110.66 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.113 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.53 -170.13 16.59 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.502 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -127.97 133.15 49.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 110.89 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.0 tp -159.86 134.59 7.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 56.65 35.24 25.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.56 23.39 73.71 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.448 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.0 mt -120.61 159.24 25.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.803 0.335 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -141.12 110.84 6.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.809 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -149.34 169.86 29.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.516 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.451 ' NE1' ' HG2' ' A' ' 23' ' ' GLU . 6.2 p-90 -82.05 166.37 19.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.765 0.317 . . . . 0.0 110.937 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.421 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 8.5 p90 -174.99 152.5 1.5 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.593 0.711 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.492 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 53.5 Cg_endo -69.79 113.63 3.44 Favored 'Trans proline' 0 N--CA 1.466 -0.13 0 C-N-CA 122.651 2.234 . . . . 0.0 112.423 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.9 -36.58 59.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 58' ' ' PHE . 13.2 pttm -53.19 -37.07 61.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.695 ' CD2' HD11 ' A' ' 14' ' ' LEU . 9.7 m-85 -64.53 -27.23 68.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.3 m -117.52 -178.85 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -131.57 142.17 49.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.434 HG12 ' N ' ' A' ' 62' ' ' LEU . 25.2 t -75.17 155.3 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 9' ' ' ARG . 0.4 OUTLIER -140.63 116.59 10.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -119.19 78.76 1.32 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.905 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.432 ' CD ' ' C ' ' A' ' 64' ' ' GLU . 0.2 OUTLIER -101.91 162.93 12.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 -179.854 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -133.35 112.31 11.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 67' ' ' LYS . 1.9 t -110.93 171.91 7.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 66' ' ' SER . 7.8 ptmt 34.6 54.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.13 112.63 18.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -130.08 -58.41 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.6 m -44.18 -33.63 1.59 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 42.4 pt -110.89 139.05 36.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.185 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -173.13 164.34 4.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 39.7 m -101.58 159.93 14.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.793 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -146.03 -93.55 0.14 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.592 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 86.65 0.57 Allowed 'Trans proline' 0 C--O 1.23 0.121 0 C-N-CA 122.748 2.299 . . . . 0.0 112.349 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 94.5 p -106.89 111.35 23.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.821 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 92.0 p 45.07 42.35 6.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.465 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.216 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.1 p -102.01 150.0 23.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.855 0.359 . . . . 0.0 110.81 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.1 m -131.52 158.22 41.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.71 58.78 0.31 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.438 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.7 m -60.8 119.7 8.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.802 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.4 p -117.27 132.05 56.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.898 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.79 146.2 5.47 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 66.6 mtt180 -128.18 173.07 10.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.807 0.337 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.7 mtm180 -143.03 140.19 30.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.796 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.472 ' HB1' ' CG2' ' A' ' 59' ' ' VAL . . . -122.35 146.8 46.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -106.68 128.33 54.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.04 110.95 8.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.455 ' HB2' HD23 ' A' ' 14' ' ' LEU . 29.8 mt -69.94 -18.17 63.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.976 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.455 HD23 ' HB2' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -156.53 -175.43 5.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 179.878 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.0 143.78 29.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -136.81 126.09 24.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -108.47 104.12 13.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.41 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 6.2 ptt85 -54.59 119.18 4.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -71.99 -41.37 67.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -104.25 162.27 13.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.6 -36.19 79.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -67.94 -48.57 65.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.536 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 23.4 mt-10 -46.91 141.21 4.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.0 tp -96.65 117.2 30.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.97 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.97 147.32 18.6 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.429 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.611 ' CG ' HD11 ' A' ' 32' ' ' ILE . 4.3 p90 -149.3 174.66 12.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 0.0 110.881 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 53.3 mmt-85 -112.53 168.79 9.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.808 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -64.57 141.71 58.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.992 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.6 m120 62.47 40.64 10.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -116.08 139.02 50.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.782 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 40.3 mm -92.54 121.9 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.611 HD11 ' CG ' ' A' ' 26' ' ' PHE . 15.3 mt -119.68 127.17 75.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.09 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.483 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 61.5 m -73.62 135.98 43.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.3 mt -94.45 116.55 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.8 mm -92.42 -61.63 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.224 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -133.3 176.42 8.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -133.19 80.59 1.89 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -52.05 -37.25 53.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -151.55 154.81 37.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -58.55 -32.79 69.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -88.17 -34.63 17.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 98.2 m -114.63 120.28 39.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.7 m0 -109.49 168.69 9.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.962 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.2 117.43 52.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -121.57 -170.52 13.91 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.459 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -136.3 123.34 21.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 110.877 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.6 tp -152.65 143.89 23.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 m120 56.54 27.18 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.74 26.49 71.28 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.54 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.8 mt -126.95 151.05 49.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.744 0.307 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.3 mtm180 -128.73 105.53 8.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -143.61 176.54 22.94 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.476 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.536 ' CE2' ' HG2' ' A' ' 23' ' ' GLU . 32.0 p-90 -89.44 165.03 14.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 110.951 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 7.0 p90 -172.48 152.41 2.64 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.655 0.741 . . . . 0.0 110.881 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.413 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 53.8 Cg_endo -69.76 126.68 13.6 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.282 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.19 -29.28 67.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -58.97 -23.11 61.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.413 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 11.1 m-85 -78.46 -33.72 48.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.472 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 2.6 m -110.83 -179.1 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -134.04 129.79 36.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 62' ' ' LEU . 79.2 t -58.97 152.84 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.411 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -137.51 115.24 11.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -101.04 113.25 26.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -97.73 -46.81 5.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -88.49 94.98 10.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 67' ' ' LYS . 30.3 t -170.3 107.12 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 66' ' ' SER . 0.1 OUTLIER -36.34 104.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -140.27 151.48 45.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -116.3 98.43 6.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 98.1 p -85.76 -33.1 21.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.3 mt -59.3 -59.88 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.14 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.96 80.74 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.1 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.1 t -151.78 129.67 11.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -107.07 83.47 0.34 Allowed Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.527 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 76' ' ' SER . 53.8 Cg_endo -69.83 2.54 3.48 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.264 . . . . 0.0 112.322 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 75' ' ' PRO . 4.0 m 37.18 54.13 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.0 t -88.43 -54.12 4.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.553 -179.958 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.4 p -69.56 144.88 52.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.808 0.337 . . . . 0.0 110.882 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.7 m -80.23 128.58 33.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.3 -71.65 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.412 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -94.57 -56.52 2.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.858 0.361 . . . . 0.0 110.845 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.6 m -87.0 111.74 21.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.65 86.38 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.7 mtt-85 -126.99 162.36 26.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -142.23 129.82 21.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.948 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.727 ' HB2' HD11 ' A' ' 34' ' ' ILE . . . -117.44 148.45 41.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.092 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.603 ' HB2' HD11 ' A' ' 62' ' ' LEU . 3.2 tmmm? -101.19 125.45 47.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.59 112.97 5.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.9 mt -71.02 -25.59 62.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.657 HD11 ' CE2' ' A' ' 58' ' ' PHE . 1.0 OUTLIER -148.01 179.73 7.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.946 179.865 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.13 135.18 33.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -124.0 131.77 53.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 18' ' ' ARG . 7.5 pt-20 -106.75 87.75 2.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.475 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 32.4 ptt180 -34.48 133.1 0.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -71.99 -47.73 49.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -129.21 166.25 19.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -45.5 -37.5 5.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.02 -48.25 82.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.517 ' OE2' ' CZ2' ' A' ' 53' ' ' TRP . 5.0 mm-40 -58.92 148.48 30.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.0 tp -102.54 114.98 29.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.8 121.33 6.74 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.55 ' CB ' HD11 ' A' ' 32' ' ' ILE . 3.3 p90 -123.09 168.84 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.869 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -111.22 155.22 23.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -53.09 140.18 26.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 63.66 44.25 5.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.767 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -121.56 134.92 55.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 51.1 mm -90.42 121.95 41.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.55 HD11 ' CB ' ' A' ' 26' ' ' PHE . 18.6 mt -119.12 129.97 74.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.2 m -76.61 114.23 15.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.727 HD11 ' HB2' ' A' ' 10' ' ' ALA . 11.4 mt -75.67 110.05 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.16 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.574 HG21 ' CZ ' ' A' ' 51' ' ' ARG . 13.4 mm -80.76 -56.57 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -136.78 165.1 26.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.497 ' HG2' ' CD1' ' A' ' 43' ' ' TRP . 74.1 mt-30 -125.54 75.37 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 37' ' ' GLN . 12.9 mtpt -36.05 -42.01 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -164.53 175.94 9.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.17 -6.98 38.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -114.81 -29.82 6.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -116.51 116.86 28.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.497 ' CD1' ' HG2' ' A' ' 37' ' ' GLN . 33.3 m0 -114.1 159.86 19.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.413 HG23 ' HG3' ' A' ' 38' ' ' LYS . 49.3 t -126.27 119.95 55.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.098 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.15 -178.58 15.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.537 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -132.1 123.42 27.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.846 0.355 . . . . 0.0 110.869 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.3 tp -154.45 144.81 22.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.929 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.7 m120 56.92 30.46 18.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.43 24.93 75.03 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.439 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.0 mt -123.37 162.27 23.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.858 0.361 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.574 ' CZ ' HG21 ' A' ' 35' ' ' ILE . 36.1 mtp180 -142.13 121.92 13.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -157.14 -167.01 17.63 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.553 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.517 ' CZ2' ' OE2' ' A' ' 23' ' ' GLU . 19.2 p-90 -106.25 163.76 12.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.712 0.291 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 4.5 p90 -173.74 152.58 2.04 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.693 0.758 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.56 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 55.0 Cg_endo -69.68 127.71 15.05 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.656 2.238 . . . . 0.0 112.404 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.24 -42.25 99.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.5 pttm -45.65 -32.7 2.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.813 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.657 ' CE2' HD11 ' A' ' 14' ' ' LEU . 10.8 m-85 -69.08 -35.14 76.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.1 m -111.91 -178.83 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -143.5 142.58 31.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.2 t -72.29 152.61 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.603 HD11 ' HB2' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -136.73 124.6 22.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 64' ' ' GLU . 9.2 p-10 -100.95 36.61 1.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 63' ' ' ASP . 16.7 mm-40 36.51 43.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -99.44 138.9 35.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.811 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 77.4 p -158.18 140.54 14.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.839 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 44.8 tttt -174.83 140.4 0.56 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -138.33 158.64 43.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -128.69 174.8 9.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -78.78 130.81 36.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.7 pt -64.21 137.45 24.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.14 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.99 100.56 11.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 24.3 p -80.56 167.36 20.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -133.73 -158.29 8.59 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.509 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.64 144.31 54.26 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.771 2.314 . . . . 0.0 112.301 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.2 t -87.03 99.63 12.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.5 t -50.01 -49.11 51.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.6 -179.882 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 m -56.99 171.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.85 0.357 . . . . 0.0 110.853 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -111.63 -54.2 2.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.89 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.05 -47.52 2.85 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.522 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.6 m -64.13 149.3 48.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.93 0.395 . . . . 0.0 110.846 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 t -120.51 144.8 47.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.2 91.1 0.11 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.455 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -126.66 175.9 7.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.834 0.349 . . . . 0.0 110.798 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.633 ' O ' HD12 ' A' ' 62' ' ' LEU . 45.5 mtt180 -146.83 129.05 15.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -111.69 144.9 40.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp -100.98 125.27 47.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.93 127.31 32.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.218 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.516 ' HB2' HD23 ' A' ' 14' ' ' LEU . 62.5 mt -83.29 -19.66 35.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.516 HD23 ' HB2' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -156.33 -176.15 5.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 179.844 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -85.84 105.37 16.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.571 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 72.3 t80 -93.39 104.26 16.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -84.05 106.25 15.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.7 ptt-85 -59.84 131.23 50.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.8 t-160 -83.39 -43.51 15.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -113.6 163.44 14.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -56.1 -42.89 77.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.7 -38.97 79.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.458 ' HG2' ' NE1' ' A' ' 53' ' ' TRP . 3.8 mm-40 -64.75 132.6 50.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.6 tp -89.63 112.68 23.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.06 150.28 20.87 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.403 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 16' ' ' PHE . 8.2 p90 -156.04 -176.91 6.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 84.9 mmt-85 -127.31 154.03 45.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -46.11 142.35 2.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 63.34 47.52 3.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -122.92 138.81 54.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.496 ' O ' HD13 ' A' ' 47' ' ' LEU . 35.4 mm -99.19 124.0 52.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.072 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.428 HG12 HD22 ' A' ' 47' ' ' LEU . 17.3 mt -118.34 126.3 74.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.202 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 55.3 m -73.67 107.09 5.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.8 mt -66.23 120.62 13.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.125 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.3 mm -95.25 -57.02 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t -137.17 172.7 12.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.444 ' OE1' ' CG ' ' A' ' 43' ' ' TRP . 8.6 mm-40 -131.72 97.05 4.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.503 ' HG3' HG23 ' A' ' 44' ' ' VAL . 19.2 mtpp -62.97 -54.54 36.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -134.41 176.41 8.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -64.22 -6.52 6.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -129.01 -47.41 1.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.3 t -78.12 100.01 6.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.444 ' CG ' ' OE1' ' A' ' 37' ' ' GLN . 53.5 m0 -108.89 152.86 24.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.02 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.503 HG23 ' HG3' ' A' ' 38' ' ' LYS . 62.3 t -112.74 108.14 24.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.125 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.95 -176.38 19.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.464 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -128.88 124.47 35.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.843 0.354 . . . . 0.0 110.922 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.496 HD13 ' O ' ' A' ' 31' ' ' ILE . 12.2 tp -155.8 134.19 11.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 27.1 m120 62.68 32.88 15.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.1 19.2 73.68 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.511 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.5 mt -122.61 136.19 54.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.719 0.295 . . . . 0.0 110.949 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -121.39 109.15 14.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -149.22 -177.5 23.42 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.458 ' NE1' ' HG2' ' A' ' 23' ' ' GLU . 16.5 p-90 -89.76 167.58 12.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.905 0.383 . . . . 0.0 110.896 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.431 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 8.0 p90 -174.89 152.15 1.5 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.697 0.761 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 103.45 1.16 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.709 2.273 . . . . 0.0 112.354 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.47 -38.92 9.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.18 -38.82 19.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -63.62 -28.52 69.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.795 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.2 m -113.68 177.88 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -128.11 143.25 51.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 59.8 t -76.54 151.59 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.158 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.633 HD12 ' O ' ' A' ' 9' ' ' ARG . 0.6 OUTLIER -134.81 115.63 13.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -69.64 143.07 53.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -124.04 -39.68 2.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.433 ' O ' ' CG ' ' A' ' 65' ' ' ARG . 15.8 ptt180 -99.52 113.9 26.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.789 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.6 t -157.36 176.75 12.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.6 pptp? -67.12 162.54 22.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -94.81 130.04 41.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -77.57 100.42 6.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.901 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.2 m -75.3 174.76 9.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 31.8 pt -126.2 167.02 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.198 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 73' ' ' SER . . . -159.77 145.81 15.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 72' ' ' ALA . 45.6 t -35.05 127.24 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -170.91 164.82 37.99 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.429 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 76' ' ' SER . 54.7 Cg_endo -69.76 -0.12 6.45 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.665 2.243 . . . . 0.0 112.417 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 75' ' ' PRO . 17.2 m -35.53 133.43 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.6 p -53.41 -21.17 5.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.455 -179.97 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.5 m -111.01 -55.9 2.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.832 0.348 . . . . 0.0 110.867 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.1 m -64.91 161.44 18.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.23 131.6 2.71 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.551 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.7 p -125.96 171.06 11.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.89 0.376 . . . . 0.0 110.878 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.6 t -39.25 103.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.821 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.7 150.01 9.33 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.441 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.6 mtm180 -115.45 171.76 7.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.79 0.328 . . . . 0.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.4 mtt85 -150.76 134.22 16.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.503 ' HB1' ' CG2' ' A' ' 59' ' ' VAL . . . -114.43 143.33 45.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.409 ' HB3' HD21 ' A' ' 62' ' ' LEU . 25.2 ttpt -102.05 125.46 48.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.71 124.3 23.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.049 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.5 mt -84.37 -14.72 48.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.467 ' N ' HD23 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -158.53 -176.4 5.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.904 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.24 141.13 35.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -135.18 123.46 23.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -110.31 90.54 3.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.816 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.434 ' HB3' ' N ' ' A' ' 25' ' ' GLY . 0.3 OUTLIER -39.36 117.44 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -94.08 28.96 2.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -167.83 136.37 2.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -44.19 -32.89 1.37 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -79.96 -43.13 22.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.455 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 33.8 mt-10 -53.18 138.42 31.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.7 tp -96.39 116.86 29.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.949 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.434 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -91.26 160.25 26.87 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.457 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.441 ' CG ' HD11 ' A' ' 32' ' ' ILE . 10.5 p90 -167.73 175.78 6.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 0.0 110.901 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.428 ' C ' ' OD1' ' A' ' 30' ' ' ASP . 13.3 mmm180 -113.72 173.71 6.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -69.17 145.42 53.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.779 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 61.1 37.56 17.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.428 ' OD1' ' C ' ' A' ' 27' ' ' ARG . 3.5 m-20 -113.69 138.63 49.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.1 mm -93.5 128.39 44.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.51 HG12 HD13 ' A' ' 47' ' ' LEU . 18.9 mt -125.82 130.54 72.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.08 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.491 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 55.6 m -74.07 135.95 43.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.235 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.1 mt -96.1 117.14 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.4 mm -89.44 -57.55 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -141.63 173.48 11.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -129.25 84.11 2.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -55.88 -43.72 77.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.957 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -142.17 139.82 32.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -40.87 -39.04 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -87.28 -40.49 14.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 62.3 m -99.48 115.49 29.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.425 ' CD2' ' HB2' ' A' ' 56' ' ' ALA . 53.2 m0 -112.45 159.23 18.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 51.7 t -115.28 115.73 50.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -117.57 -162.31 12.44 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.426 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 33' ' ' THR . 5.4 tt0 -147.46 123.06 10.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 0.0 110.947 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.51 HD13 HG12 ' A' ' 32' ' ' ILE . 5.1 tp -149.83 147.84 28.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.0 m120 46.75 35.65 3.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.82 31.81 79.35 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.434 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.3 mt -128.97 129.24 45.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.828 0.347 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -114.18 106.82 14.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -147.49 -168.88 14.36 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.402 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.455 ' CE2' ' HG2' ' A' ' 23' ' ' GLU . 17.1 p-90 -101.77 166.5 10.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.841 0.353 . . . . 0.0 110.898 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 6.9 p90 -174.53 151.97 1.63 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.581 0.705 . . . . 0.0 110.915 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 114.06 3.58 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.716 2.277 . . . . 0.0 112.33 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.425 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -57.13 -34.59 68.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.1 pttt -53.28 -32.0 46.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -69.1 -30.74 69.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.503 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 4.8 m -112.87 176.02 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -128.75 130.01 46.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.1 t -63.5 150.74 9.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.409 HD21 ' HB3' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -133.91 130.86 38.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -119.89 94.15 4.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -101.89 163.71 12.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.926 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.8 mmt-85 57.67 40.29 26.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.0 t -72.84 -60.04 2.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -115.1 149.99 36.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -121.55 151.94 39.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.841 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -120.94 115.42 23.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.982 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 31.2 p -66.1 129.3 39.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.791 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 18.3 mt -132.12 134.95 59.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.138 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -119.58 165.82 13.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.5 t -104.26 96.76 6.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.956 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 142.56 -80.34 0.25 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.429 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 89.03 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.632 2.221 . . . . 0.0 112.369 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 89.9 p -84.58 176.58 8.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.787 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 78' ' ' GLY . 26.3 t -82.01 158.54 23.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.875 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 77' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.422 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 m -104.55 102.32 11.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 110.832 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.5 p -76.71 -55.38 5.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.06 57.34 5.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.565 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -141.46 119.0 11.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.939 0.4 . . . . 0.0 110.874 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.9 p -83.0 111.45 18.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.803 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.69 136.35 27.61 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.477 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.526 ' NE ' ' CG1' ' A' ' 61' ' ' VAL . 17.2 ttt180 -128.31 170.69 12.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.819 0.343 . . . . 0.0 110.916 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.2 mtt-85 -142.23 133.17 25.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.449 ' HB2' HD11 ' A' ' 34' ' ' ILE . . . -115.58 143.31 45.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -99.66 132.2 45.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.98 105.97 7.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.7 mt -65.85 -18.48 65.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -156.83 171.35 20.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -81.34 135.45 35.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -123.59 137.17 54.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -107.5 100.87 10.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.416 ' HB3' ' N ' ' A' ' 25' ' ' GLY . 16.5 ptt85 -60.08 127.72 33.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.91 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -84.94 -58.79 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.866 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -94.25 159.46 15.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.58 -36.98 67.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -63.49 -28.05 69.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.401 ' CD ' ' CZ2' ' A' ' 53' ' ' TRP . 4.3 mm-40 -75.6 132.62 40.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 36.9 tp -97.68 107.94 20.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.416 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -81.44 157.86 38.91 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.427 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -159.32 179.71 8.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.875 0.369 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -119.66 168.97 10.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -65.6 139.03 58.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 63.48 39.2 9.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -114.44 134.58 54.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.3 mm -87.7 127.82 40.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.096 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.412 HG12 HD22 ' A' ' 47' ' ' LEU . 27.1 mt -124.08 124.97 70.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.18 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.489 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 98.6 m -71.38 132.61 45.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.449 HD11 ' HB2' ' A' ' 10' ' ' ALA . 17.9 mt -95.82 112.39 28.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.1 mm -86.52 -63.32 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.176 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -131.59 162.7 29.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -126.84 84.62 2.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -51.82 -52.65 47.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 41' ' ' HIS . 0.2 OUTLIER -136.7 140.18 42.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.855 179.885 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -38.54 -27.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.475 ' N ' ' O ' ' A' ' 39' ' ' ASP . 11.7 m-70 -93.52 -60.48 1.76 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 90.4 m -84.33 112.47 20.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.812 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.6 m0 -111.19 161.33 16.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.1 t -118.33 117.03 53.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.489 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -120.1 -163.55 12.23 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.501 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -141.25 123.7 15.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.876 0.369 . . . . 0.0 110.952 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.412 HD22 HG12 ' A' ' 32' ' ' ILE . 10.3 tp -153.22 145.56 23.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.951 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 55.61 29.06 12.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.06 23.88 77.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.456 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.2 mt -121.27 163.77 18.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.751 0.31 . . . . 0.0 110.939 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.4 mtm180 -142.32 112.06 6.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -153.87 -170.64 20.1 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.444 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.401 ' CZ2' ' CD ' ' A' ' 23' ' ' GLU . 19.1 p-90 -96.93 163.79 12.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -171.53 151.55 2.97 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.68 0.752 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.94 119.78 6.66 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.628 2.219 . . . . 0.0 112.408 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.64 -35.94 81.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.038 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.14 -28.27 10.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.972 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -74.22 -33.7 63.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.811 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.8 m -108.73 177.68 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.111 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -133.61 129.73 37.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.526 ' CG1' ' NE ' ' A' ' 8' ' ' ARG . 42.6 t -63.74 150.48 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.186 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.49 113.59 11.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -94.99 90.99 6.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.955 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -45.95 149.59 0.65 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -132.08 48.25 2.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 82.6 p -51.67 119.54 4.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.2 tttt -74.66 142.89 44.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -128.23 143.56 51.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -81.5 78.07 8.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.6 m -66.05 167.22 10.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.635 HD13 ' N ' ' A' ' 71' ' ' ILE . 0.0 OUTLIER -113.81 55.91 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.095 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 54.71 46.32 24.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.012 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 87.3 p -105.72 90.11 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.801 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.81 -167.41 52.55 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.4 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 88.72 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.664 2.243 . . . . 0.0 112.41 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 94.4 p -128.51 150.99 49.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.836 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 t 53.89 50.57 16.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.538 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.408 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 m -122.62 169.06 11.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.922 0.391 . . . . 0.0 110.815 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.5 t -103.29 -62.1 1.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.89 170.57 14.72 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 t -73.8 140.05 45.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.897 0.38 . . . . 0.0 110.843 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.9 m -91.82 90.45 7.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.77 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.01 120.47 0.88 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.437 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 62.8 mtt-85 -124.15 169.35 11.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.86 0.362 . . . . 0.0 110.807 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -143.79 145.91 32.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -127.9 147.6 50.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.104 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.409 ' HD2' ' C ' ' A' ' 11' ' ' LYS . 4.5 tmmm? -100.67 127.48 47.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.73 103.28 2.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.5 HD21 ' CB ' ' A' ' 60' ' ' GLU . 13.0 mt -63.82 -22.08 66.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -152.01 172.35 16.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.965 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.31 147.08 34.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -135.6 130.51 34.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -106.95 92.98 4.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.441 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 8.4 ptt180 -44.09 120.05 1.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -95.83 26.4 4.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -164.09 141.79 7.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.804 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -49.41 -31.8 10.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -81.18 -43.32 19.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.419 ' CD ' ' CZ2' ' A' ' 53' ' ' TRP . 4.1 mm-40 -49.08 137.98 12.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.1 tp -96.36 111.39 23.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.58 150.52 22.56 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.453 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.429 ' CB ' HD11 ' A' ' 32' ' ' ILE . 2.3 p90 -150.11 -177.5 5.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.831 0.348 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -127.52 168.02 15.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -60.0 139.35 57.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 62.13 44.1 8.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -119.71 134.29 55.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.805 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.9 mm -92.47 128.56 43.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.429 HD11 ' CB ' ' A' ' 26' ' ' PHE . 17.8 mt -124.61 126.05 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.058 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.486 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 94.4 m -71.84 136.26 46.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.125 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 59.1 mt -96.79 113.18 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.1 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.5 mm -87.25 -63.52 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.119 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -132.57 161.52 33.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -118.69 81.4 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.8 mtmt -47.53 -49.06 27.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -133.8 -175.77 3.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.855 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -78.27 -36.53 46.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -95.17 -35.49 11.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.2 m -97.38 116.62 29.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.7 m0 -115.37 155.6 27.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 52' ' ' GLY . 84.4 t -113.6 121.63 66.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.486 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -129.58 -169.35 12.52 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.408 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -129.78 138.13 50.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.918 0.39 . . . . 0.0 110.82 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.9 tp -166.62 148.55 6.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 47.02 36.61 4.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.84 29.5 75.19 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.536 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.0 mt -128.68 158.28 38.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.845 0.355 . . . . 0.0 110.844 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.8 mtm105 -141.8 110.86 6.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.458 ' O ' HG13 ' A' ' 44' ' ' VAL . . . -154.08 -167.47 16.23 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.419 ' CZ2' ' CD ' ' A' ' 23' ' ' GLU . 12.4 p-90 -96.84 165.71 11.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.803 0.335 . . . . 0.0 110.927 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -172.36 152.54 2.74 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.712 0.768 . . . . 0.0 110.813 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 109.64 2.35 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.679 2.253 . . . . 0.0 112.35 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.83 -35.47 61.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.177 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.62 -34.01 49.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -67.03 -26.99 67.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.0 m -115.62 171.37 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.195 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.5 ' CB ' HD21 ' A' ' 13' ' ' LEU . 20.2 tp10 -126.24 136.08 52.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.515 ' O ' HD23 ' A' ' 62' ' ' LEU . 91.5 t -66.86 158.08 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.036 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.515 HD23 ' O ' ' A' ' 61' ' ' VAL . 0.6 OUTLIER -143.95 122.13 12.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -88.65 31.33 0.84 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 42.67 36.94 0.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.06 -177.95 3.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.3 m 56.94 43.79 24.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -107.69 123.41 48.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.54 ' HG3' ' CE1' ' A' ' 69' ' ' TYR . 9.1 pt-20 -78.63 46.69 0.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.54 ' CE1' ' HG3' ' A' ' 68' ' ' GLU . 5.6 m-85 -137.95 153.01 49.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.6 m -121.19 142.35 49.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 60.2 mt -116.03 115.37 48.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.151 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.74 129.26 55.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.4 m -117.38 153.85 32.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.85 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 175.19 -94.3 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -40.24 5.5 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.752 2.302 . . . . 0.0 112.314 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.3 t -48.67 -54.62 14.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.792 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.1 m -135.69 130.5 34.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.519 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.396 -0.282 . . . . 0.0 112.396 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t 74.4 50.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 0.0 110.892 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -95.23 80.01 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.53 -54.86 25.44 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.497 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.1 p -163.39 163.69 24.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.904 0.383 . . . . 0.0 110.773 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -70.92 -55.33 8.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.842 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.74 157.08 42.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.456 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -133.61 171.15 14.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 0.0 110.899 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.9 mtm-85 -142.24 136.58 29.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -120.08 146.1 46.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.051 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -98.82 131.38 44.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.09 119.32 19.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.553 HD21 ' HB2' ' A' ' 60' ' ' GLU . 9.7 mt -77.8 -18.63 56.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -158.11 175.39 13.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.22 133.6 33.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -116.34 130.61 56.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -100.14 101.92 13.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 ptt-85 -70.5 127.73 33.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.532 ' CD2' ' OE1' ' A' ' 23' ' ' GLU . 17.2 p80 -89.12 -38.47 14.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -106.37 145.2 32.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -46.16 -45.09 16.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.23 -48.02 74.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.532 ' OE1' ' CD2' ' A' ' 19' ' ' HIS . 13.1 mt-10 -55.48 118.7 4.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.5 tp -82.56 110.8 17.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.11 167.67 38.09 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -167.12 -177.31 3.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.836 0.351 . . . . 0.0 110.912 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -122.2 164.54 17.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -61.71 141.1 58.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.2 m120 61.9 47.81 5.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -123.92 144.41 49.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.9 mm -96.13 129.28 46.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.192 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.5 mt -126.25 132.77 70.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.478 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 77.2 m -79.73 138.64 37.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.1 mt -98.11 112.77 30.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.3 mm -85.96 -64.58 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.074 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -131.12 164.73 24.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -133.45 102.58 5.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.924 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.467 ' HE2' ' N ' ' A' ' 38' ' ' LYS . 1.0 OUTLIER -74.09 -58.23 3.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -117.53 167.91 10.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -61.86 -31.49 71.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -99.34 -48.52 4.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.427 ' HG ' ' HZ3' ' A' ' 53' ' ' TRP . 73.9 m -79.92 110.98 15.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.7 m0 -117.4 163.84 15.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 52' ' ' GLY . 99.5 t -120.17 120.64 63.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.478 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -124.01 -171.98 13.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.495 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -135.88 123.14 21.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.926 0.393 . . . . 0.0 110.862 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.7 tp -152.72 152.29 31.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.5 m120 48.42 31.13 2.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.8 29.15 72.65 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.466 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.7 mt -126.75 158.98 35.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.885 0.374 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 -138.24 118.48 13.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.407 ' O ' HG13 ' A' ' 44' ' ' VAL . . . -161.92 -166.15 20.15 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.448 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.427 ' HZ3' ' HG ' ' A' ' 42' ' ' CYS . 7.4 p-90 -102.78 163.86 11.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.847 0.356 . . . . 0.0 110.92 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -167.26 150.46 5.99 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.655 0.741 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.77 108.64 2.13 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.665 2.243 . . . . 0.0 112.316 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.8 -28.45 56.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.194 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.6 pttt -57.21 -24.12 52.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -78.01 -32.48 51.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.6 m -109.59 171.29 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.553 ' HB2' HD21 ' A' ' 13' ' ' LEU . 23.7 tt0 -125.48 134.31 52.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.82 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.9 t -68.22 150.96 10.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.31 121.65 29.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 64' ' ' GLU . 1.8 m-20 -91.86 34.83 0.98 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.81 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 63' ' ' ASP . 4.7 mm-40 36.8 40.88 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.842 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.5 ttm-85 -104.39 108.48 19.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 t -158.93 167.49 29.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.809 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.453 ' HG2' ' N ' ' A' ' 68' ' ' GLU . 20.8 tttp -137.09 158.6 44.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.453 ' N ' ' HG2' ' A' ' 67' ' ' LYS . 36.0 tt0 -118.62 130.04 55.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -94.3 138.81 31.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.967 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 94.6 p -59.26 142.91 50.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.818 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 42.7 mt -56.76 141.78 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.163 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -90.98 148.79 22.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.094 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.4 t -52.45 127.07 21.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.844 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 148.76 -163.45 29.05 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.469 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 120.88 7.59 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.645 2.23 . . . . 0.0 112.401 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.0 p -39.6 122.05 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.792 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 90.3 p -157.33 135.31 10.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.767 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m 61.72 42.0 11.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.938 0.399 . . . . 0.0 110.878 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.7 m -123.4 107.33 11.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.881 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.57 101.77 0.19 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.5 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.0 m -134.08 147.93 50.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.322 . . . . 0.0 110.888 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.2 m -98.09 43.57 1.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.29 122.62 6.01 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.4 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.8 mtt-85 -126.57 166.42 17.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.425 ' O ' HD12 ' A' ' 62' ' ' LEU . 24.7 mtt180 -145.97 132.94 20.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.838 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.449 ' HB2' HD11 ' A' ' 34' ' ' ILE . . . -114.03 141.23 47.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 11' ' ' LYS . 4.2 tmmm? -98.67 131.89 44.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.97 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.671 ' HB3' ' H ' ' A' ' 30' ' ' ASP . . . -73.71 131.47 41.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.484 ' HB2' HD23 ' A' ' 14' ' ' LEU . 66.6 mt -87.58 -28.9 21.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.484 HD23 ' HB2' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -146.64 -175.53 4.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.424 ' CG ' ' O ' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -84.55 118.04 24.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.874 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -111.4 105.16 13.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -89.28 107.89 19.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.459 ' HB3' ' N ' ' A' ' 25' ' ' GLY . 18.0 ptt-85 -62.02 123.97 19.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.1 p-80 -85.88 -31.55 22.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -114.51 151.2 33.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -51.1 -40.58 58.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.39 -45.83 91.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.476 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 9.8 mt-10 -57.09 138.6 54.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.0 tp -101.01 108.14 19.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.459 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -82.67 158.75 37.54 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.473 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.46 ' CG ' HD11 ' A' ' 32' ' ' ILE . 8.6 p90 -165.2 160.24 18.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.858 0.361 . . . . 0.0 110.898 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -92.12 174.73 7.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -68.37 140.9 55.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 59.81 37.97 21.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.671 ' H ' ' HB3' ' A' ' 12' ' ' ALA . 1.0 OUTLIER -106.12 129.84 54.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.9 mm -82.99 131.84 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.46 HD11 ' CG ' ' A' ' 26' ' ' PHE . 14.6 mt -130.65 130.35 64.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.457 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 67.7 m -74.88 135.0 41.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.449 HD11 ' HB2' ' A' ' 10' ' ' ALA . 66.7 mt -95.71 112.44 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.6 mm -87.88 -63.44 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.188 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -135.3 161.59 34.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -118.21 124.84 48.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.3 mttm -90.47 -63.45 1.27 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -128.2 176.23 7.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.788 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -62.96 -38.9 92.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -106.59 20.6 18.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 79.5 m -147.92 108.23 4.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.1 m0 -119.51 156.67 29.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 93.6 t -112.17 119.69 60.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.457 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -124.55 -167.17 12.6 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -137.23 126.41 24.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.85 0.357 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.3 tp -155.85 150.14 25.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 49.64 29.88 3.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.32 32.54 68.46 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.503 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.7 mt -130.28 164.35 24.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.707 0.289 . . . . 0.0 111.041 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 -142.33 107.9 5.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -150.21 -174.94 21.86 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.476 ' CE2' ' HG2' ' A' ' 23' ' ' GLU . 12.7 p-90 -92.94 168.86 10.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -174.49 152.18 1.67 Allowed Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 121.684 0.754 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 114.93 3.85 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.773 2.316 . . . . 0.0 112.362 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.74 -41.71 67.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.165 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.52 -39.49 34.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -62.15 -26.85 68.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.0 m -116.18 176.37 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.157 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -130.76 131.78 44.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.6 t -69.73 150.17 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.181 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.425 HD12 ' O ' ' A' ' 9' ' ' ARG . 0.4 OUTLIER -130.22 145.32 51.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -115.97 130.02 56.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.1 mp0 -118.44 -48.07 2.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -41.78 -53.33 3.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.2 t -60.06 -49.58 77.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.6 tttt 61.15 42.0 12.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -59.97 117.41 5.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -67.31 89.18 0.2 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.835 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.5 m -60.86 160.75 9.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 7.9 pt -76.78 169.55 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -162.17 143.52 10.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.058 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.1 m -42.15 126.69 3.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -77.85 -86.35 0.46 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 149.86 67.41 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.31 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.9 t -111.05 145.47 38.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.4 m -121.37 -60.04 1.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.438 -179.932 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -122.37 151.11 41.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.847 0.356 . . . . 0.0 110.852 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.4 m -105.84 123.12 47.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.14 -50.55 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.395 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -121.26 152.81 38.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.882 0.372 . . . . 0.0 110.865 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -78.76 134.78 37.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.96 127.77 6.44 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.521 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 34.5 mtt180 -120.18 170.77 9.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.788 0.327 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.9 mtt180 -148.74 133.56 17.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -115.69 164.72 13.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.5 ttpp -117.03 134.89 54.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.814 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.456 ' HA ' HG12 ' A' ' 59' ' ' VAL . . . -80.43 119.45 23.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.015 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.416 HD21 ' HB2' ' A' ' 60' ' ' GLU . 5.8 mt -81.05 -9.68 59.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.965 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -162.31 -179.85 7.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.83 142.84 29.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.944 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -137.25 115.85 12.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -92.29 105.2 17.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.481 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 24.9 ptt-85 -50.89 108.79 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.905 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -59.79 -59.21 5.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -89.2 142.68 27.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -44.97 -32.25 1.57 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.792 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -73.07 -46.12 53.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.77 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -44.15 154.19 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.974 0.416 . . . . 0.0 110.83 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.2 tp -107.29 117.37 33.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.419 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -98.8 138.86 14.12 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.437 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.671 ' CG ' HD11 ' A' ' 32' ' ' ILE . 0.8 OUTLIER -134.28 -178.2 4.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 0.0 110.905 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -123.39 166.69 14.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -61.53 135.77 57.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 63.57 43.24 5.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -118.84 147.22 44.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.956 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.422 ' O ' HD13 ' A' ' 47' ' ' LEU . 32.3 mm -97.74 130.71 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.119 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.671 HD11 ' CG ' ' A' ' 26' ' ' PHE . 22.2 mt -126.75 126.29 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.069 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.49 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 93.6 m -70.06 138.97 52.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.6 mt -101.48 110.7 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.144 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.9 mm -87.63 -64.57 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t -127.23 173.4 9.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -132.43 79.42 1.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -44.95 -66.12 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -125.49 156.89 38.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -52.54 -16.71 0.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 -108.23 -50.1 3.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 71.2 m -88.74 117.21 27.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.6 m0 -116.01 154.42 29.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.5 t -113.51 119.57 61.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -125.55 -169.56 12.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.534 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -131.62 132.65 44.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.877 0.37 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.613 HD22 HG12 ' A' ' 32' ' ' ILE . 12.7 tp -167.26 149.06 5.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.3 m120 55.24 25.55 7.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.54 19.84 79.75 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.0 mt -122.42 158.3 30.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.756 0.313 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -136.55 107.45 6.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.58 -169.62 15.59 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.515 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 17.2 p-90 -98.89 162.42 13.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.789 0.328 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -166.36 152.89 8.42 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.667 0.746 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 122.0 8.7 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.381 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.86 -27.98 67.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -63.85 -9.16 13.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -93.19 -23.83 18.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.456 HG12 ' HA ' ' A' ' 12' ' ' ALA . 4.9 m -120.39 172.82 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.109 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.416 ' HB2' HD21 ' A' ' 13' ' ' LEU . 12.0 tp10 -127.8 130.78 49.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.8 t -68.36 150.45 10.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.48 118.54 26.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -96.15 84.25 3.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -71.36 85.32 0.81 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -116.12 129.2 56.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.8 t -130.84 124.14 30.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.4 ' NZ ' ' HB3' ' A' ' 67' ' ' LYS . 0.5 OUTLIER -150.97 -179.59 7.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -117.98 150.35 39.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -93.76 135.76 34.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.5 t -45.45 164.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.9 mm -47.48 95.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.055 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -103.01 161.23 13.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.171 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.3 t -41.89 -46.07 3.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 160.1 83.46 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.5 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 106.33 1.64 Allowed 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.679 2.253 . . . . 0.0 112.332 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 72.9 m -129.18 168.41 16.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.828 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.5 t -115.86 134.11 55.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.565 179.943 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 m -52.99 -54.33 36.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.935 0.398 . . . . 0.0 110.919 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -57.69 158.72 5.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.61 50.62 0.42 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.481 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.2 p -49.29 169.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 110.897 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.9 m -110.93 117.52 33.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.73 126.35 6.46 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 82.5 mtt-85 -128.2 173.04 10.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.768 0.318 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.547 ' O ' HD12 ' A' ' 62' ' ' LEU . 67.0 mtt180 -144.95 129.88 18.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.826 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.511 ' HB1' ' CG2' ' A' ' 59' ' ' VAL . . . -109.02 141.48 41.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -99.48 125.85 45.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.466 ' HB3' ' H ' ' A' ' 30' ' ' ASP . . . -68.75 119.95 13.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.051 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.508 ' HB2' HD23 ' A' ' 14' ' ' LEU . 22.7 mt -78.62 -14.2 59.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.508 HD23 ' HB2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -157.51 179.36 9.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -86.21 103.53 14.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.547 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 25.7 t80 -88.48 124.89 34.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -102.05 100.32 10.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.419 ' HB3' ' N ' ' A' ' 25' ' ' GLY . 9.8 ptt85 -54.18 128.14 29.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -79.69 -44.89 19.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -121.07 158.45 27.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -46.32 -42.24 14.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -55.59 -46.92 77.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.778 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.555 ' OE2' ' CH2' ' A' ' 53' ' ' TRP . 4.2 mm-40 -61.47 137.74 58.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.4 tp -94.84 106.16 18.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.969 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.419 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -81.75 142.35 22.55 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.536 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.547 ' CE1' ' HB2' ' A' ' 16' ' ' PHE . 7.0 p90 -150.95 161.41 42.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.884 0.373 . . . . 0.0 110.868 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.457 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -97.86 -177.25 3.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -70.79 142.89 51.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 55.46 40.29 31.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.466 ' H ' ' HB3' ' A' ' 12' ' ' ALA . 1.0 OUTLIER -107.19 123.43 48.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.494 ' O ' ' CD1' ' A' ' 47' ' ' LEU . 34.4 mm -77.03 134.63 28.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.179 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.5 HG12 HD13 ' A' ' 47' ' ' LEU . 17.8 mt -134.65 128.09 50.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.177 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.492 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 89.0 m -74.61 136.94 42.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.18 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 48.7 mt -96.67 112.6 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 18.8 mm -87.51 -65.04 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.154 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -131.29 163.44 27.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.819 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -118.43 80.72 1.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.896 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -49.15 -52.85 23.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.977 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -130.91 167.28 19.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -63.5 -36.38 83.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.793 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -95.28 -35.19 11.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 78.6 m -96.82 121.7 38.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.6 m0 -119.23 153.35 35.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.7 t -112.4 114.33 46.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.492 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -121.12 -168.73 13.58 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -134.37 131.13 37.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.873 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.5 HD13 HG12 ' A' ' 32' ' ' ILE . 8.1 tp -153.44 142.77 21.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 44.15 39.82 3.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.53 32.52 83.6 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.422 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 33.2 mt -128.4 131.76 48.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.847 0.356 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.5 mtm-85 -116.8 109.31 16.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.803 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -152.87 -175.55 24.46 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.451 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.555 ' CH2' ' OE2' ' A' ' 23' ' ' GLU . 23.4 p-90 -94.5 167.2 11.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.842 0.353 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.9 p90 -173.43 152.29 2.12 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.608 0.718 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 117.79 5.29 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.704 2.269 . . . . 0.0 112.375 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.95 -37.98 77.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -53.83 -36.06 62.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -63.48 -34.47 77.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.855 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.511 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 7.5 m -108.09 175.3 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.157 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -125.74 135.12 51.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 20.0 t -69.7 144.21 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.547 HD12 ' O ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -128.91 142.26 51.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.969 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.85 144.8 25.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -126.39 117.18 22.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.4 mmm-85 -117.1 151.27 37.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.0 t -172.06 168.59 5.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.808 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.405 ' HD2' ' C ' ' A' ' 67' ' ' LYS . 3.8 tmmm? -110.05 -61.84 1.6 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.837 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -39.28 121.98 1.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.966 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -80.63 129.57 34.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.91 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 75.4 p -82.78 171.6 13.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 15.7 pt -125.39 139.0 52.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.162 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -170.02 145.69 2.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.044 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.1 t -151.73 156.02 39.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -173.66 82.98 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.519 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 125.82 12.63 Favored 'Trans proline' 0 C--N 1.34 0.12 0 C-N-CA 122.679 2.253 . . . . 0.0 112.335 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.1 m -129.19 173.6 10.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 36.1 t -127.55 100.14 5.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.867 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.41 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.562 179.946 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t -98.94 135.38 40.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.838 0.351 . . . . 0.0 110.796 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m -137.71 109.61 7.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.6 110.75 0.95 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.489 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -80.91 107.1 13.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.351 . . . . 0.0 110.867 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.6 m 60.86 40.99 15.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.71 168.88 15.53 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.521 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.6 mtm-85 -110.19 170.07 8.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.353 . . . . 0.0 110.876 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.527 ' O ' HD12 ' A' ' 62' ' ' LEU . 73.9 mtt180 -150.91 130.02 12.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -111.11 159.18 18.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.6 ttpp -112.09 129.7 56.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.85 115.01 12.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.179 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.408 HD21 ' HB2' ' A' ' 60' ' ' GLU . 10.0 mt -74.52 -19.04 60.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -153.04 -177.02 6.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.991 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.97 138.89 31.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.784 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.421 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 57.2 t80 -133.71 118.28 17.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 18' ' ' ARG . 8.2 pt-20 -101.49 88.56 3.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' GLU . 17.1 ptt-85 -37.23 127.6 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -86.46 -40.53 15.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -98.6 169.39 9.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -69.47 -37.96 77.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -71.43 -36.86 71.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.816 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -56.59 139.7 49.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.4 tp -98.9 122.61 42.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.78 163.93 24.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.427 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.421 ' CE1' ' HB3' ' A' ' 16' ' ' PHE . 5.6 p90 -169.15 176.15 5.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.898 0.38 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -119.08 160.85 21.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.8 tttt -56.42 142.22 39.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 60.52 47.65 8.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.828 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -123.15 137.96 54.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 49.3 mm -90.76 130.79 39.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.095 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 17.8 mt -127.43 132.72 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.082 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 93.2 m -81.32 128.54 33.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.145 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.8 mt -87.01 120.84 37.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.183 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.0 mm -94.34 -61.99 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.069 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t -139.82 133.38 30.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -102.33 88.79 3.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -53.17 -69.3 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -107.43 172.46 6.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.964 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -63.4 -27.24 69.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -105.93 -47.48 3.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.1 m -80.16 110.14 15.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.47 ' CE3' ' HB2' ' A' ' 56' ' ' ALA . 54.7 m0 -118.21 161.03 20.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.945 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.7 t -120.28 115.33 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.031 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.75 -159.02 12.31 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.437 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -147.93 123.73 10.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.859 0.361 . . . . 0.0 110.914 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.9 tp -155.82 151.29 27.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.4 m120 51.62 30.43 6.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.67 23.87 76.52 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.549 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.2 mt -122.27 157.37 31.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.775 0.321 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -138.13 109.42 6.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -151.79 -176.83 24.93 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.524 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 12.4 p-90 -91.73 164.22 13.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.829 0.347 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.408 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 9.5 p90 -171.39 150.5 2.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.75 0.786 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.481 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 53.6 Cg_endo -69.83 106.4 1.67 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.759 2.306 . . . . 0.0 112.259 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.47 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . . . -51.36 -34.91 36.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.162 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.96 -28.56 6.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.481 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 10.1 m-85 -72.04 -34.36 68.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.883 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.9 m -111.29 177.36 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.113 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.408 ' HB2' HD21 ' A' ' 13' ' ' LEU . 47.5 tp10 -129.14 138.33 51.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.487 HG12 ' N ' ' A' ' 62' ' ' LEU . 41.2 t -71.25 158.05 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.527 HD12 ' O ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -138.87 127.83 23.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.11 120.26 32.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -112.6 -35.99 5.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -12.22 48.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.816 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.1 t -55.65 -178.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.49 171.93 7.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -115.25 129.5 56.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -77.87 137.77 38.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.001 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.6 m -50.36 108.39 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.937 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 65.1 mt -144.79 129.01 12.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.15 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.15 92.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.6 t -102.31 116.92 33.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.35 -93.4 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.499 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 141.88 46.15 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.316 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.3 t -114.62 166.77 11.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.9 t 52.05 43.0 30.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.55 179.98 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.39 0 N-CA-C 112.539 -0.225 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -106.31 -52.91 2.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.952 0.406 . . . . 0.0 110.901 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -58.72 149.96 24.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.901 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.81 -134.92 7.22 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.455 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.7 p -120.0 43.05 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.955 0.407 . . . . 0.0 110.847 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 7' ' ' GLY . 9.6 m -68.24 81.28 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.794 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 36.17 -147.55 0.05 OUTLIER Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.412 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.402 ' HB3' HD12 ' A' ' 34' ' ' ILE . 23.1 ttt180 -126.48 179.29 5.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 110.836 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.493 ' O ' HD12 ' A' ' 62' ' ' LEU . 56.3 mtt180 -150.79 127.9 11.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.84 140.41 48.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.104 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -93.69 133.56 36.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.87 131.82 39.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.051 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.2 mt -91.75 -19.73 22.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -154.73 169.6 23.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.982 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.01 129.58 35.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -132.31 116.42 16.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -98.37 98.49 9.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.452 ' HB3' ' N ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -40.29 147.84 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.899 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -105.95 -52.47 2.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -85.33 153.74 22.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -53.63 -26.23 21.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.832 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -84.56 -44.06 13.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.842 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.529 ' CD ' ' CZ2' ' A' ' 53' ' ' TRP . 5.2 mm-40 -48.62 136.02 13.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.4 tp -101.41 124.85 47.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.452 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -98.76 160.83 20.27 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -161.9 177.77 9.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.802 0.334 . . . . 0.0 110.872 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -120.66 166.1 14.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.808 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.9 tttp -60.25 143.33 52.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 60.43 43.49 13.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.948 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -120.61 141.06 50.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.838 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.501 ' O ' HD13 ' A' ' 47' ' ' LEU . 8.9 mm -96.44 136.29 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.468 HG23 ' O ' ' A' ' 46' ' ' GLU . 14.3 mt -132.79 126.07 53.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.481 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 91.7 m -73.94 128.69 36.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.402 HD12 ' HB3' ' A' ' 8' ' ' ARG . 18.2 mt -89.51 117.72 33.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.155 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 18.9 mm -90.61 -64.15 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -135.73 113.86 11.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -82.18 88.36 6.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.5 tttt -41.41 -55.63 2.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.973 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.583 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -148.78 178.89 8.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.844 179.801 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -67.52 -3.65 9.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -117.51 -49.38 2.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.797 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -98.58 117.65 33.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.583 ' CD1' ' O ' ' A' ' 39' ' ' ASP . 53.9 m0 -118.53 152.26 36.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.5 t -117.42 108.2 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.188 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.481 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -118.69 -159.11 11.0 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.468 ' O ' HG23 ' A' ' 32' ' ' ILE . 8.2 tm-20 -144.07 142.64 30.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.925 0.393 . . . . 0.0 110.77 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 31' ' ' ILE . 14.6 tp -167.45 136.05 2.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 51.94 38.69 24.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.434 ' O ' HD23 ' A' ' 50' ' ' LEU . . . 65.17 34.52 89.86 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.504 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 49' ' ' GLY . 26.4 mt -133.56 126.48 31.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.898 0.38 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 51' ' ' ARG . 8.6 ttp-105 -117.7 121.99 42.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -166.27 -173.35 34.59 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.58 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.529 ' CZ2' ' CD ' ' A' ' 23' ' ' GLU . 10.3 p-90 -92.47 164.96 13.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.876 0.37 . . . . 0.0 110.897 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.5 p90 -173.2 152.69 2.29 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.68 0.752 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 110.78 2.66 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.636 2.224 . . . . 0.0 112.332 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.495 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -52.35 -41.77 63.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.117 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.4 ptmt -45.13 -41.74 8.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -59.12 -33.17 70.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.9 m -113.81 -179.01 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.048 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -135.19 136.52 41.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.504 HG12 ' N ' ' A' ' 62' ' ' LEU . 77.3 t -67.96 157.59 6.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.504 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.5 OUTLIER -141.66 126.43 18.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.91 32.64 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 41.84 40.69 1.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.922 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 39.11 49.97 1.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.7 t -119.98 80.27 1.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.431 ' HD2' ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -170.98 177.76 3.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -118.62 137.04 53.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -95.03 166.62 11.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.7 m -133.5 -33.65 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 14.6 pt -137.83 149.68 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.134 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -117.69 155.9 29.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.087 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 90.1 p -67.48 170.81 6.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -150.98 -92.68 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -14.83 36.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.742 2.295 . . . . 0.0 112.334 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.5 p 66.03 38.29 4.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.993 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.0 t -118.06 118.53 32.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.87 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.431 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.577 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.0 p -121.39 -57.65 1.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.859 0.361 . . . . 0.0 110.896 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t -49.34 109.28 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.92 -106.07 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.416 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -41.11 156.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.937 0.398 . . . . 0.0 110.843 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.2 p -98.8 -40.86 7.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.33 126.52 0.31 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.451 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.4 mtt85 -136.84 -177.15 4.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.797 0.332 . . . . 0.0 110.828 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.471 ' O ' HD12 ' A' ' 62' ' ' LEU . 36.8 mtm180 -150.13 136.45 18.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.604 ' HB2' HD11 ' A' ' 34' ' ' ILE . . . -112.79 146.61 38.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.104 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.87 126.74 52.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.32 114.61 10.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.54 HD11 ' OE1' ' A' ' 60' ' ' GLU . 36.1 mt -73.25 -18.71 61.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.506 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -154.01 -176.24 5.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.824 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.61 150.19 23.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -150.47 124.39 9.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -105.33 97.59 7.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.05 160.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.2 m80 -115.77 -53.27 2.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 22' ' ' ASP . 9.3 t70 -87.01 128.76 35.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.876 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -38.32 -26.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.956 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 20' ' ' ASP . 38.8 m-20 -74.57 -46.14 40.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.533 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 43.2 mt-10 -54.01 157.58 2.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 46.0 tp -119.32 116.72 26.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.09 172.62 32.34 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.531 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.519 ' CG ' HD11 ' A' ' 32' ' ' ILE . 4.9 p90 -170.57 174.38 5.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 0.0 110.98 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -114.86 169.88 8.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.802 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.6 tttt -59.1 141.99 52.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 59.77 47.03 10.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -118.33 126.01 51.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.5 mm -87.09 117.55 31.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.074 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.519 HD11 ' CG ' ' A' ' 26' ' ' PHE . 17.7 mt -116.06 127.03 73.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.2 m -72.3 123.22 22.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.604 HD11 ' HB2' ' A' ' 10' ' ' ALA . 27.5 mt -82.63 121.27 35.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.0 mm -94.99 -56.48 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -143.77 173.87 11.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -133.61 91.99 2.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -59.22 -41.82 89.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -141.66 147.34 37.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -48.16 -36.91 14.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 -89.03 -32.76 17.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 93.5 m -106.75 114.11 28.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.467 ' CD2' ' HB2' ' A' ' 56' ' ' ALA . 48.8 m0 -108.0 170.19 8.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' ' 52' ' ' GLY . 48.1 t -127.73 122.8 59.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.047 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -126.22 -160.17 10.51 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.527 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -146.18 123.71 11.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.504 HD13 HG12 ' A' ' 32' ' ' ILE . 5.6 tp -154.4 143.81 21.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 17.1 m120 58.06 29.03 17.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.71 20.34 79.63 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.435 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.7 mt -121.25 150.68 41.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.802 0.334 . . . . 0.0 110.953 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -133.08 112.38 11.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.591 ' O ' HG13 ' A' ' 44' ' ' VAL . . . -151.48 -168.98 16.56 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.536 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.533 ' CE2' ' HG2' ' A' ' 23' ' ' GLU . 27.6 p-90 -97.11 165.21 12.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.776 0.322 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.425 ' C ' ' CD1' ' A' ' 54' ' ' PHE . 7.4 p90 -174.59 152.4 1.66 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.479 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 53.6 Cg_endo -69.68 118.19 5.53 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.761 2.308 . . . . 0.0 112.349 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.467 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -59.32 -30.3 68.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.086 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.23 -27.57 55.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.479 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 15.3 m-85 -78.56 -18.71 54.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.438 HG22 ' HA ' ' A' ' 56' ' ' ALA . 29.0 m -121.87 174.97 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.54 ' OE1' HD11 ' A' ' 13' ' ' LEU . 23.7 tp10 -128.15 135.63 50.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.429 HG22 ' CZ3' ' A' ' 43' ' ' TRP . 15.0 t -72.31 145.94 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 9' ' ' ARG . 0.4 OUTLIER -130.43 125.56 34.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 179.9 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -91.25 140.51 29.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -119.61 85.93 2.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.5 mmt-85 -85.28 141.94 29.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.6 t -174.03 116.23 0.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -148.81 158.25 44.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.454 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 31.4 mm-40 -79.3 47.41 0.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 68' ' ' GLU . 9.3 m-85 -140.54 106.23 5.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 t -98.25 146.29 25.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.815 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.592 ' N ' HD13 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -39.35 146.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.067 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -118.25 146.31 44.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.035 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 54.9 p -50.61 138.64 17.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 150.16 -89.58 0.14 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.413 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -31.97 19.29 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.536 2.157 . . . . 0.0 112.368 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 88.2 p -91.91 122.35 34.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.5 p -172.0 142.63 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.776 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.45 -179.97 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -119.23 -50.74 2.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.92 0.39 . . . . 0.0 110.85 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.9 t -73.07 -45.92 54.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.795 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.44 159.16 15.42 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.454 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.1 p -135.17 126.68 28.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.841 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.5 p -86.73 135.67 33.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.742 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.55 158.04 25.37 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.522 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.61 ' HB3' HD12 ' A' ' 34' ' ' ILE . 20.3 ttt180 -135.98 172.36 13.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.79 0.329 . . . . 0.0 110.879 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -143.44 133.41 24.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.776 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -117.82 127.77 54.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.538 ' HB3' HD21 ' A' ' 62' ' ' LEU . 27.3 ttpt -86.32 125.95 33.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.837 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.493 ' HB3' ' H ' ' A' ' 30' ' ' ASP . . . -67.13 132.97 48.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.425 ' HB2' HD23 ' A' ' 14' ' ' LEU . 42.8 mt -85.93 -26.54 25.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.425 HD23 ' HB2' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -149.22 -176.33 5.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.954 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.42 ' O ' ' CG ' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -80.57 118.76 22.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.825 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.586 ' CB ' ' CE1' ' A' ' 26' ' ' PHE . 68.0 t80 -109.68 111.36 22.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.795 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -93.84 106.29 18.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.456 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 9.8 ptt180 -56.62 120.97 8.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -76.17 -53.31 8.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 21' ' ' ASP . 1.3 m-20 -97.29 142.39 29.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' ASP . 8.9 t70 -38.39 -41.11 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -63.15 -48.33 78.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.456 ' CB ' ' HB2' ' A' ' 18' ' ' ARG . 21.0 mt-10 -44.86 137.79 3.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 47.6 tp -100.12 106.68 18.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.424 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -79.78 169.15 53.05 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.46 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.586 ' CE1' ' CB ' ' A' ' 16' ' ' PHE . 8.3 p90 -173.04 161.13 4.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.895 0.378 . . . . 0.0 110.808 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -92.96 174.98 6.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.892 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.2 tttt -68.97 139.47 55.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 56.34 44.12 25.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.493 ' H ' ' HB3' ' A' ' 12' ' ' ALA . 1.5 m-20 -108.72 141.36 40.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 51.3 mm -87.45 129.28 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.473 HG12 HD13 ' A' ' 47' ' ' LEU . 17.8 mt -130.8 132.74 63.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.079 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.492 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 52.2 m -78.45 137.38 37.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.61 HD12 ' HB3' ' A' ' 8' ' ' ARG . 67.2 mt -97.94 110.77 26.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.8 mm -84.38 -61.84 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -140.46 158.49 43.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -109.63 132.87 53.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.485 ' HG3' HG23 ' A' ' 44' ' ' VAL . 38.6 mttm -99.63 -66.06 0.93 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -126.12 174.01 8.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.829 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -54.72 -49.63 70.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -103.64 27.78 7.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.782 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 43.1 m -146.55 105.62 3.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.8 m0 -118.09 154.03 32.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.919 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' ' 52' ' ' GLY . 73.5 t -110.76 115.11 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.492 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -120.05 -170.31 14.31 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.514 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -134.59 123.0 23.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.829 0.347 . . . . 0.0 110.917 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.473 HD13 HG12 ' A' ' 32' ' ' ILE . 5.2 tp -153.15 154.8 35.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.1 m120 46.84 34.08 2.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.77 33.43 85.89 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.39 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 44.5 mt -129.13 163.16 26.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.813 0.339 . . . . 0.0 110.962 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.7 ttp85 -143.14 106.55 4.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.83 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.597 ' O ' HG13 ' A' ' 44' ' ' VAL . . . -152.78 -165.36 13.27 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.441 ' NE1' ' HG2' ' A' ' 23' ' ' GLU . 5.7 p-90 -100.58 167.47 10.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.8 0.333 . . . . 0.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -171.25 150.92 2.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.635 0.731 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.401 ' HD2' ' CZ ' ' A' ' 16' ' ' PHE . 53.8 Cg_endo -69.73 110.43 2.55 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.04 -32.71 48.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.051 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 58' ' ' PHE . 2.5 ptmt -56.0 -30.75 62.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.953 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.458 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 9.8 m-85 -72.8 -26.6 61.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.7 m -114.78 174.54 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -130.17 129.87 44.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.584 ' O ' HD23 ' A' ' 62' ' ' LEU . 90.1 t -57.81 157.95 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' ' 61' ' ' VAL . 1.1 mt -144.25 135.56 25.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.95 100.17 8.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -57.73 -43.18 85.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.5 -56.25 7.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.6 m -50.61 97.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.812 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.36 89.14 3.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -116.33 161.43 19.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -99.43 109.72 22.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -129.06 83.82 2.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 50.0 mm -124.7 141.4 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -124.55 -45.81 1.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 t -126.48 83.57 2.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -169.06 159.59 32.69 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.54 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.67 2.19 3.7 Favored 'Trans proline' 0 C--O 1.23 0.114 0 C-N-CA 122.753 2.302 . . . . 0.0 112.37 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 67.5 m -98.01 97.55 9.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.9 m -87.72 -47.17 8.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.407 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.42 -179.952 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -76.76 162.96 27.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 t 51.07 41.99 28.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.97 -126.79 1.89 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.595 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 m -84.85 -51.52 6.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.349 . . . . 0.0 110.923 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -77.18 136.51 38.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.791 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.79 131.8 3.51 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.421 ' HB3' HD12 ' A' ' 34' ' ' ILE . 30.2 mtm-85 -108.12 162.7 13.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.838 0.351 . . . . 0.0 110.88 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.9 mtm180 -147.54 130.55 16.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -113.23 142.4 45.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.7 ttpp -95.02 125.66 39.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.422 ' HB2' ' CD2' ' A' ' 26' ' ' PHE . . . -69.41 135.2 49.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.097 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.0 mt -85.23 -27.28 26.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.581 HD11 ' CD2' ' A' ' 58' ' ' PHE . 3.7 pp -147.05 -175.51 4.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.452 ' CG ' ' O ' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -89.02 115.88 26.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.822 179.86 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -109.02 107.29 17.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 18' ' ' ARG . 44.4 mt-10 -88.12 88.92 7.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.452 ' HB3' ' N ' ' A' ' 25' ' ' GLY . 6.0 ptt180 -34.51 121.36 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -74.48 -43.8 54.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -105.75 172.15 6.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.93 -47.06 82.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -57.79 -46.81 84.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.541 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 31.9 mt-10 -53.27 139.31 29.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.94 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.7 tp -99.66 118.73 36.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.452 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -91.97 137.33 13.7 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.451 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.462 ' CG ' HD11 ' A' ' 32' ' ' ILE . 9.3 p90 -143.45 157.17 44.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.458 ' N ' ' HD3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -87.37 175.93 7.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.828 -179.882 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -70.38 134.54 47.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.807 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 61.34 42.78 11.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.04 129.33 55.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 22.7 mm -81.86 127.52 39.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.746 HG23 ' O ' ' A' ' 46' ' ' GLU . 13.0 mt -123.29 143.51 36.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.157 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 19.4 m -86.63 111.23 20.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.421 HD12 ' HB3' ' A' ' 8' ' ' ARG . 23.6 mt -68.17 112.63 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.9 mm -82.43 -59.2 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.8 t -143.37 176.42 9.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -127.92 76.41 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.6 tptt -47.7 -46.85 29.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -140.1 139.16 35.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -41.08 -39.7 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -83.33 -46.69 12.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 98.9 m -99.27 116.95 32.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 52.7 m0 -108.19 177.04 4.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.0 t -127.29 130.2 70.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.059 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.28 175.93 20.62 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.746 ' O ' HG23 ' A' ' 32' ' ' ILE . 10.6 tt0 -128.9 152.19 48.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.912 0.387 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.41 ' N ' ' HG2' ' A' ' 46' ' ' GLU . 12.1 tp -170.82 133.3 0.93 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.971 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 34.1 m120 55.69 34.4 23.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.44 8.31 85.72 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 mt -125.57 128.81 48.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.824 0.345 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.44 ' HB3' ' CB ' ' A' ' 46' ' ' GLU . 22.0 ptt85 -128.37 159.14 36.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.24 -174.21 46.54 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.541 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.541 ' CE2' ' HG2' ' A' ' 23' ' ' GLU . 16.8 p-90 -84.07 156.2 22.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.922 0.391 . . . . 0.0 110.873 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -171.23 152.33 3.37 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.645 0.735 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.474 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 53.4 Cg_endo -69.82 111.6 2.87 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.49 -38.3 53.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.034 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -50.46 -36.33 32.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.581 ' CD2' HD11 ' A' ' 14' ' ' LEU . 10.0 m-85 -65.96 -27.99 68.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.777 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.4 m -113.79 173.09 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -127.37 138.57 53.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.455 HG12 ' N ' ' A' ' 62' ' ' LEU . 64.9 t -70.71 155.39 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.108 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.455 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.5 OUTLIER -139.57 113.25 8.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 64' ' ' GLU . 9.0 p-10 -84.53 37.06 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 63' ' ' ASP . 30.2 mp0 34.4 42.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -83.73 37.93 0.61 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.8 t -80.32 101.63 9.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.581 ' HE3' ' CE1' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -163.98 174.67 11.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -110.97 174.76 5.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.581 ' CE1' ' HE3' ' A' ' 67' ' ' LYS . 4.9 m-85 -117.17 160.11 21.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 t -122.15 111.41 16.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.3 mp -134.26 124.89 46.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.56 169.93 13.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.2 m -88.92 176.86 6.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -173.67 -93.95 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -44.73 1.93 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.62 2.213 . . . . 0.0 112.442 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.6 t -154.7 145.98 22.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.9 t -99.57 153.96 18.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.829 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.456 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.0 t -61.31 -47.18 87.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.916 0.388 . . . . 0.0 110.874 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 t -55.11 147.03 16.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.832 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.17 -40.81 0.32 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.549 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.4 m -39.68 -47.74 2.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.92 0.39 . . . . 0.0 110.864 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.8 p -56.31 98.21 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.99 133.16 1.51 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.55 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.3 mtt85 -136.96 176.96 8.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.876 0.369 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.458 ' HD2' ' CG2' ' A' ' 31' ' ' ILE . 19.4 mtm180 -147.43 142.14 26.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.825 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -126.02 135.8 52.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -87.88 130.82 34.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.74 106.7 6.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.173 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.447 HD21 ' HB2' ' A' ' 60' ' ' GLU . 11.2 mt -62.07 -33.01 73.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -144.62 174.79 10.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.949 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -80.45 144.34 32.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -142.56 118.13 10.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -99.37 98.01 8.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.63 153.61 0.78 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.822 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -108.44 -51.93 2.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -90.28 141.72 28.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -42.68 -36.55 1.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -68.8 -48.81 62.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.43 ' HG2' ' NE1' ' A' ' 53' ' ' TRP . 40.4 mt-10 -51.2 134.57 27.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.802 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.436 ' CD1' ' HB2' ' A' ' 50' ' ' LEU . 38.9 tp -101.13 123.46 45.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.974 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.08 177.14 28.68 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.413 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.558 ' CG ' HD11 ' A' ' 32' ' ' ILE . 3.3 p90 -173.12 178.79 2.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 110.903 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -116.56 175.77 5.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.0 tttm -71.21 141.57 50.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.5 m120 60.06 41.97 16.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.83 144.08 44.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.807 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.458 ' CG2' ' HD2' ' A' ' 9' ' ' ARG . 49.4 mm -95.59 124.28 48.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.558 HD11 ' CG ' ' A' ' 26' ' ' PHE . 28.7 mt -122.18 125.29 72.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.165 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.409 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 51.6 m -73.5 132.9 43.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.172 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.3 mt -94.3 111.37 25.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.086 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.7 mm -84.43 -65.4 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -124.05 153.37 41.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -112.97 79.52 1.24 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.447 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 25.5 tptt -39.29 -48.01 1.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.853 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.447 ' CG ' ' O ' ' A' ' 38' ' ' LYS . 31.5 m-20 -167.08 164.32 15.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -53.43 -15.57 1.1 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -101.01 -56.38 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.4 p -98.8 129.01 45.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.428 ' CH2' ' CG2' ' A' ' 61' ' ' VAL . 49.8 m0 -120.47 163.67 17.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 94.1 t -123.54 117.91 52.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -119.6 -166.45 13.33 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -145.82 125.11 13.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.89 0.376 . . . . 0.0 110.843 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 tp -156.79 147.81 21.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.7 m120 48.26 34.18 4.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.48 ' O ' HD23 ' A' ' 50' ' ' LEU . . . 68.55 31.18 73.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.442 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' ' 49' ' ' GLY . 21.4 mt -130.69 128.5 41.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.781 0.324 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -122.15 106.9 11.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -149.66 -166.49 13.32 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.43 ' NE1' ' HG2' ' A' ' 23' ' ' GLU . 6.2 p-90 -94.94 163.67 13.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.866 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -171.65 152.81 3.24 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.594 0.711 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 111.34 2.8 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.75 2.3 . . . . 0.0 112.283 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 59' ' ' VAL . . . -55.15 -42.6 73.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -43.82 -36.63 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -65.06 -35.89 82.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.42 ' N ' ' O ' ' A' ' 56' ' ' ALA . 13.0 m -107.97 175.33 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.447 ' HB2' HD21 ' A' ' 13' ' ' LEU . 26.8 tp10 -131.02 127.65 38.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.527 HG12 ' N ' ' A' ' 62' ' ' LEU . 80.3 t -61.23 158.99 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.527 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.5 OUTLIER -142.96 127.31 17.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.961 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -113.42 86.47 2.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -65.34 174.93 1.89 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 51.21 37.2 17.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.8 m -120.27 153.05 36.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.82 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.19 134.39 55.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -157.11 159.77 38.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -120.37 87.91 2.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.5 t -131.65 176.07 8.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.7 mt -59.14 134.96 24.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.86 161.35 8.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.079 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.0 p -114.47 130.68 56.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.825 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -55.66 179.92 0.36 Allowed Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.48 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 76' ' ' SER . 53.2 Cg_endo -69.92 -1.15 8.12 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.644 2.229 . . . . 0.0 112.334 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 75' ' ' PRO . 66.7 m -34.93 -46.36 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.7 m -89.58 153.43 20.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.823 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.425 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.459 179.999 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.203 0 N-CA-C 112.403 -0.279 . . . . 0.0 112.403 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.9 p -44.51 160.22 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.933 0.397 . . . . 0.0 110.736 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 m -70.15 166.95 18.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.782 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.83 -111.7 0.49 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.502 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.7 t -141.93 150.18 41.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.866 0.365 . . . . 0.0 110.876 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.4 m -83.79 101.84 11.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.85 127.19 14.7 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -130.23 170.79 13.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.321 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.8 mtm180 -143.82 135.61 26.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.81 142.92 46.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -94.12 131.61 39.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.95 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.98 103.7 8.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.031 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.0 mt -61.75 -33.59 74.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -145.81 172.52 13.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -74.72 138.22 42.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.853 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -126.99 109.15 11.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -89.77 102.96 15.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 ptt180 -64.33 125.78 25.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.823 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -76.45 -47.0 24.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -108.23 143.52 36.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.798 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' ASP . 0.6 OUTLIER -41.6 -55.72 2.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' ASP . 20.6 m-20 -37.21 -53.46 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.82 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.508 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 3.7 mm-40 -55.14 156.51 3.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.1 tp -112.43 108.38 17.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.983 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.35 152.04 26.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.392 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.641 ' CB ' HD11 ' A' ' 32' ' ' ILE . 3.0 p90 -153.9 174.52 14.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.2 mmt85 -113.02 173.52 6.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.789 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -69.96 143.33 52.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.952 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 59.62 42.5 17.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -119.52 142.71 48.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.8 mm -94.14 126.86 46.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.19 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.641 HD11 ' CB ' ' A' ' 26' ' ' PHE . 20.4 mt -124.56 125.79 70.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.471 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 98.9 m -71.19 138.86 49.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.4 mt -99.94 114.45 38.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.6 mm -89.86 -64.07 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.102 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -124.94 160.18 29.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.834 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -135.53 111.0 9.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.4 -46.91 18.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 41' ' ' HIS . 23.2 p-10 -167.73 147.25 4.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.914 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -39.38 -26.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 39' ' ' ASP . 59.6 m170 -69.93 -53.14 19.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.782 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 19.6 m -130.78 135.82 48.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.804 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.505 ' HZ3' HG22 ' A' ' 61' ' ' VAL . 49.4 m0 -122.56 176.18 6.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.627 HG13 ' O ' ' A' ' 52' ' ' GLY . 92.2 t -125.18 125.31 69.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.471 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -129.73 -168.91 12.42 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.503 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -141.72 126.61 18.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 110.92 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.1 tp -156.31 147.66 22.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.0 m120 55.64 33.12 20.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.51 31.36 76.41 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.527 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.6 mt -130.04 162.53 28.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.785 0.326 . . . . 0.0 110.996 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -140.11 107.09 5.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.946 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.627 ' O ' HG13 ' A' ' 44' ' ' VAL . . . -144.38 -157.84 7.37 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.46 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.508 ' CE2' ' HG2' ' A' ' 23' ' ' GLU . 7.7 p-90 -115.45 169.22 9.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.76 0.314 . . . . 0.0 110.934 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.44 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 4.7 p90 -173.5 152.77 2.18 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.637 0.732 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.69 115.67 4.19 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.621 2.214 . . . . 0.0 112.36 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.32 -38.76 71.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.98 -34.11 19.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -67.74 -32.64 73.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.0 m -110.68 179.19 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -131.79 128.54 39.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.505 HG22 ' HZ3' ' A' ' 43' ' ' TRP . 41.1 t -66.41 146.12 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.099 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.42 142.15 49.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.777 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -120.32 94.03 4.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.803 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -51.89 172.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -80.56 164.73 22.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.9 t 53.26 44.06 30.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.78 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -131.97 111.79 11.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -174.78 107.82 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.81 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -115.38 102.79 10.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.5 t -157.64 155.22 29.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.829 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.0 pt -80.25 175.82 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.234 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.15 95.5 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.122 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 83.5 p -134.21 143.21 47.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -133.84 -165.83 11.13 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.498 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 76' ' ' SER . 53.2 Cg_endo -69.92 -3.68 12.6 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.659 2.24 . . . . 0.0 112.25 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 75' ' ' PRO . 17.6 p -34.6 125.14 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.852 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.8 t 60.75 41.27 15.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.777 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -96.7 152.71 18.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.847 0.356 . . . . 0.0 110.917 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.2 m -120.77 94.85 4.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.98 -137.83 14.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.577 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 m -128.0 -42.31 1.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.908 0.385 . . . . 0.0 110.871 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.9 m -71.05 112.7 7.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.866 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.21 119.7 1.02 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.519 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -114.95 166.27 11.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.881 0.372 . . . . 0.0 110.825 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.3 mtt85 -146.46 147.7 31.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.414 ' HB1' ' CG2' ' A' ' 59' ' ' VAL . . . -131.54 149.72 52.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.154 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.8 ttpp -97.8 128.8 44.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.68 103.19 4.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.192 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.6 mt -64.31 -23.59 67.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.971 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.656 HD12 ' O ' ' A' ' 15' ' ' ASP . 3.9 pp -152.81 176.01 12.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.656 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.2 t0 -82.4 134.26 35.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -120.71 113.51 20.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -90.89 94.16 9.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.407 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 24.6 ptt-85 -43.5 119.11 1.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -88.64 21.74 2.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -162.1 151.92 16.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.3 -26.89 65.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.902 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -86.74 -42.5 13.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -48.94 131.93 18.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.0 tp -89.81 110.63 21.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.72 166.86 29.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.497 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.438 ' CG ' HD11 ' A' ' 32' ' ' ILE . 2.5 p90 -161.89 179.76 7.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.801 0.334 . . . . 0.0 110.898 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -120.97 165.01 15.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.8 tttt -58.14 137.97 56.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 62.34 53.27 2.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -128.35 140.45 51.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.828 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.9 mm -93.47 131.51 40.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.438 HD11 ' CG ' ' A' ' 26' ' ' PHE . 31.8 mt -127.13 136.63 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.451 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 45.1 m -85.14 130.91 34.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.1 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.8 mt -92.74 111.39 24.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.229 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.593 HD11 ' OE1' ' A' ' 46' ' ' GLU . 3.5 mm -83.79 -64.94 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t -133.91 113.8 12.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -72.98 79.55 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.0 tttp -41.02 -47.35 3.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.527 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 2.7 p-10 -173.07 153.44 2.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.424 ' O ' ' CD ' ' A' ' 40' ' ' GLU . 11.1 tm-20 -49.97 -23.22 1.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.15 -34.14 17.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 82.3 m -137.49 122.46 18.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.527 ' CD1' ' O ' ' A' ' 39' ' ' ASP . 44.4 m0 -115.95 155.41 28.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.864 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.763 HG13 ' O ' ' A' ' 52' ' ' GLY . 89.1 t -115.76 115.07 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.101 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.451 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -119.96 -168.38 13.8 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.566 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.593 ' OE1' HD11 ' A' ' 35' ' ' ILE . 6.2 tt0 -136.31 122.89 20.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 0.0 110.879 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.417 HD13 HG12 ' A' ' 32' ' ' ILE . 5.9 tp -154.99 145.35 22.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 21.2 m120 55.94 29.4 14.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.951 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.86 24.69 75.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.454 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.1 mt -124.21 149.39 46.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.791 0.329 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -132.09 116.0 16.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.801 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.763 ' O ' HG13 ' A' ' 44' ' ' VAL . . . -153.49 -154.08 6.62 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.563 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 18.9 p-90 -113.47 155.71 24.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.804 0.335 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -166.46 151.57 7.46 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.746 0.784 . . . . 0.0 110.82 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.582 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 52.7 Cg_endo -69.77 137.29 35.09 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.711 2.274 . . . . 0.0 112.278 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.41 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -79.36 -28.96 41.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.076 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.559 ' HD2' ' CD1' ' A' ' 58' ' ' PHE . 0.3 OUTLIER -59.79 -15.09 17.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.582 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 9.0 m-85 -82.51 -34.92 27.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.414 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 4.5 m -110.85 176.72 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -126.9 131.7 51.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.818 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 22.0 t -68.59 150.19 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.046 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.29 147.38 50.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -129.86 106.3 8.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 65' ' ' ARG . 55.6 mt-10 -94.04 153.6 18.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 64' ' ' GLU . 28.9 ptt180 35.98 41.31 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.4 t -131.94 135.14 46.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.419 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 1.5 tmmm? -88.39 85.81 6.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.801 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -144.54 121.81 11.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.419 ' CE2' ' HD3' ' A' ' 67' ' ' LYS . 5.6 m-85 -125.11 163.83 21.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.3 t -133.41 -33.67 1.1 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.822 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 14.6 pt -57.09 155.67 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -125.76 104.72 8.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.1 m -46.0 165.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.837 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 172.36 74.09 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.518 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 120.89 7.61 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.641 2.228 . . . . 0.0 112.362 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.6 p -68.3 -45.58 72.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.0 t -86.46 42.2 0.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.426 -179.957 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.426 -0.27 . . . . 0.0 112.426 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 1' ' ' GLY . 50.1 p 35.85 42.11 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.933 0.397 . . . . 0.0 110.864 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.1 p -77.86 -52.9 8.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.859 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.4 148.03 5.91 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -102.92 43.58 1.07 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.873 0.368 . . . . 0.0 110.863 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.8 p -103.78 103.47 13.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.817 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.91 135.67 3.04 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.418 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -106.07 140.68 38.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.851 0.357 . . . . 0.0 110.837 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.8 mtm-85 -132.54 133.91 44.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.493 ' HB1' ' CG2' ' A' ' 59' ' ' VAL . . . -119.89 128.67 53.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.034 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -84.56 134.18 34.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.588 ' HB3' ' H ' ' A' ' 30' ' ' ASP . . . -71.8 126.3 29.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.1 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.622 ' HB2' HD23 ' A' ' 14' ' ' LEU . 59.4 mt -82.44 -28.25 31.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.622 HD23 ' HB2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -149.85 -178.24 6.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -84.33 119.39 25.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.821 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -116.85 103.71 10.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -87.15 112.58 22.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.31 157.16 38.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -112.15 -51.94 2.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -99.0 144.85 27.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -42.78 -38.38 2.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.93 -42.17 89.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.846 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.528 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 21.7 mt-10 -71.32 138.72 49.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 36.9 tp -108.79 116.28 31.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.39 161.47 27.55 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.476 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.74 ' CB ' HD11 ' A' ' 32' ' ' ILE . 2.9 p90 -160.24 157.55 28.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.715 0.293 . . . . 0.0 110.968 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -91.15 172.01 8.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -66.71 139.44 57.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 61.39 31.96 19.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.588 ' H ' ' HB3' ' A' ' 12' ' ' ALA . 1.2 m-20 -102.7 133.53 47.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.6 mm -90.15 131.43 37.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.74 HD11 ' CB ' ' A' ' 26' ' ' PHE . 23.2 mt -127.84 129.94 69.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.19 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.413 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 53.7 m -73.93 134.49 43.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.084 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 60.6 mt -94.22 114.37 30.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.2 mm -85.97 -60.7 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -139.15 145.96 40.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -98.78 78.88 2.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -44.64 -66.4 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -116.31 177.22 4.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.957 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -69.0 -42.52 76.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -92.71 -37.63 12.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.771 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.469 ' HG ' ' HZ3' ' A' ' 53' ' ' TRP . 85.0 m -94.39 120.98 35.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 52.7 m0 -118.71 160.8 21.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.6 t -114.82 113.77 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.413 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -113.98 -164.39 15.25 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -143.89 123.47 13.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.419 HD13 HG12 ' A' ' 32' ' ' ILE . 5.3 tp -153.92 150.0 27.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 53.15 28.39 6.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.76 28.74 70.32 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.0 mt -127.35 161.79 27.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.797 0.332 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.1 mtt180 -140.05 111.32 7.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.821 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -149.77 -167.48 14.22 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.425 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.528 ' CE2' ' HG2' ' A' ' 23' ' ' GLU . 16.7 p-90 -104.11 159.23 15.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.821 0.343 . . . . 0.0 110.858 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -166.0 152.46 8.61 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.666 0.746 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 115.71 4.21 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.756 2.304 . . . . 0.0 112.363 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.31 -35.93 76.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.052 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.27 -25.5 9.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -77.09 -27.83 54.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.493 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 4.8 m -113.76 169.54 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -122.61 129.76 52.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.823 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 62.0 t -65.55 148.63 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.103 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.36 170.66 14.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -145.79 125.55 13.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -139.52 171.3 14.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 50.64 49.04 21.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.82 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 67' ' ' LYS . 2.1 t -123.84 150.89 44.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -34.33 116.02 0.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -132.89 146.97 52.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -112.76 157.47 21.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 34.7 m -94.61 95.6 8.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.9 mm -134.15 143.07 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.165 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -152.3 142.23 22.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.03 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.3 m 38.73 31.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -93.87 -80.12 1.47 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.576 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -14.43 35.87 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.736 2.291 . . . . 0.0 112.368 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 44.4 t -52.34 107.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 79.1 p -42.95 106.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.869 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.467 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.2 mtm180 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.917 0.389 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.587 ' O ' HD12 ' A' ' 62' ' ' LEU . 20.2 mtm180 -149.03 128.38 12.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.12 138.1 49.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.2 ttpp -91.95 130.07 37.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.517 ' HB3' ' H ' ' A' ' 30' ' ' ASP . . . -72.83 131.13 41.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.1 mt -89.01 -22.39 23.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.695 HD11 ' CD2' ' A' ' 58' ' ' PHE . 4.4 pp -153.79 175.46 13.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.41 130.83 35.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -128.81 109.44 11.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.835 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -88.95 101.97 14.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.2 ptt85 -49.61 127.91 16.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -82.92 -43.49 16.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -109.22 149.01 30.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -49.54 -28.8 5.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -73.16 -31.54 64.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.759 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.451 ' HG2' ' NE1' ' A' ' 53' ' ' TRP . 24.5 mt-10 -71.98 138.48 48.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.6 tp -101.57 112.01 24.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.95 172.26 47.64 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.531 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -173.9 154.97 2.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.861 0.363 . . . . 0.0 110.86 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -91.27 162.26 14.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -61.76 129.89 43.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.783 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 73.29 34.23 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.517 ' H ' ' HB3' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -102.66 146.63 27.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 41.5 mm -98.25 126.28 51.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 mt -128.87 126.5 64.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.08 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 97.1 m -79.16 121.4 24.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.7 mt -77.48 117.34 22.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.187 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.4 mm -91.21 -63.92 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -131.18 111.28 11.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 38' ' ' LYS . 91.3 mt-30 -77.89 83.19 4.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 37' ' ' GLN . 12.3 tptm -35.12 -48.62 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.964 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.532 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 46.8 m-20 -162.69 178.38 8.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -68.56 -2.79 9.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.899 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -115.23 -46.28 2.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.78 122.88 48.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.532 ' CD1' ' O ' ' A' ' 39' ' ' ASP . 40.8 m0 -118.68 156.2 29.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.9 t -123.34 110.66 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.113 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.53 -170.13 16.59 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.502 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -127.97 133.15 49.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 110.89 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.0 tp -159.86 134.59 7.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 56.65 35.24 25.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.56 23.39 73.71 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.448 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.0 mt -120.61 159.24 25.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.803 0.335 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -141.12 110.84 6.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.809 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -149.34 169.86 29.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.516 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.451 ' NE1' ' HG2' ' A' ' 23' ' ' GLU . 6.2 p-90 -82.05 166.37 19.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.765 0.317 . . . . 0.0 110.937 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.421 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 8.5 p90 -174.99 152.5 1.5 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.593 0.711 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.492 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 53.5 Cg_endo -69.79 113.63 3.44 Favored 'Trans proline' 0 N--CA 1.466 -0.13 0 C-N-CA 122.651 2.234 . . . . 0.0 112.423 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.9 -36.58 59.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 58' ' ' PHE . 13.2 pttm -53.19 -37.07 61.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.695 ' CD2' HD11 ' A' ' 14' ' ' LEU . 9.7 m-85 -64.53 -27.23 68.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.3 m -117.52 -178.85 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -131.57 142.17 49.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.434 HG12 ' N ' ' A' ' 62' ' ' LEU . 25.2 t -75.17 155.3 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 9' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 66.6 mtt180 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.807 0.337 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.7 mtm180 -143.03 140.19 30.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.796 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.472 ' HB1' ' CG2' ' A' ' 59' ' ' VAL . . . -122.35 146.8 46.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -106.68 128.33 54.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.04 110.95 8.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.455 ' HB2' HD23 ' A' ' 14' ' ' LEU . 29.8 mt -69.94 -18.17 63.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.976 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.455 HD23 ' HB2' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -156.53 -175.43 5.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 179.878 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.0 143.78 29.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -136.81 126.09 24.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -108.47 104.12 13.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.41 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 6.2 ptt85 -54.59 119.18 4.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -71.99 -41.37 67.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -104.25 162.27 13.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.6 -36.19 79.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -67.94 -48.57 65.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.536 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 23.4 mt-10 -46.91 141.21 4.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.0 tp -96.65 117.2 30.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.97 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.97 147.32 18.6 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.429 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.611 ' CG ' HD11 ' A' ' 32' ' ' ILE . 4.3 p90 -149.3 174.66 12.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 0.0 110.881 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 53.3 mmt-85 -112.53 168.79 9.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.808 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -64.57 141.71 58.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.992 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 62.47 40.64 10.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -116.08 139.02 50.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.782 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 40.3 mm -92.54 121.9 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.611 HD11 ' CG ' ' A' ' 26' ' ' PHE . 15.3 mt -119.68 127.17 75.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.09 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.483 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 61.5 m -73.62 135.98 43.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.3 mt -94.45 116.55 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.8 mm -92.42 -61.63 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.224 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -133.3 176.42 8.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -133.19 80.59 1.89 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -52.05 -37.25 53.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -151.55 154.81 37.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -58.55 -32.79 69.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -88.17 -34.63 17.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 98.2 m -114.63 120.28 39.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.7 m0 -109.49 168.69 9.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.962 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.2 117.43 52.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -121.57 -170.52 13.91 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.459 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -136.3 123.34 21.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 110.877 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.6 tp -152.65 143.89 23.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 56.54 27.18 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.74 26.49 71.28 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.54 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.8 mt -126.95 151.05 49.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.744 0.307 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.3 mtm180 -128.73 105.53 8.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -143.61 176.54 22.94 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.476 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.536 ' CE2' ' HG2' ' A' ' 23' ' ' GLU . 32.0 p-90 -89.44 165.03 14.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 110.951 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 7.0 p90 -172.48 152.41 2.64 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.655 0.741 . . . . 0.0 110.881 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.413 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 53.8 Cg_endo -69.76 126.68 13.6 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.282 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.19 -29.28 67.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -58.97 -23.11 61.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.413 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 11.1 m-85 -78.46 -33.72 48.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.472 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 2.6 m -110.83 -179.1 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -134.04 129.79 36.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 62' ' ' LEU . 79.2 t -58.97 152.84 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.411 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.7 mtt-85 . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.854 0.359 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -142.23 129.82 21.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.948 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.727 ' HB2' HD11 ' A' ' 34' ' ' ILE . . . -117.44 148.45 41.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.092 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.603 ' HB2' HD11 ' A' ' 62' ' ' LEU . 3.2 tmmm? -101.19 125.45 47.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.59 112.97 5.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.9 mt -71.02 -25.59 62.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.657 HD11 ' CE2' ' A' ' 58' ' ' PHE . 1.0 OUTLIER -148.01 179.73 7.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.946 179.865 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.13 135.18 33.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -124.0 131.77 53.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 18' ' ' ARG . 7.5 pt-20 -106.75 87.75 2.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.475 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 32.4 ptt180 -34.48 133.1 0.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -71.99 -47.73 49.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -129.21 166.25 19.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -45.5 -37.5 5.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.02 -48.25 82.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.517 ' OE2' ' CZ2' ' A' ' 53' ' ' TRP . 5.0 mm-40 -58.92 148.48 30.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.0 tp -102.54 114.98 29.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.8 121.33 6.74 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.55 ' CB ' HD11 ' A' ' 32' ' ' ILE . 3.3 p90 -123.09 168.84 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.869 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -111.22 155.22 23.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -53.09 140.18 26.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 63.66 44.25 5.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.767 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -121.56 134.92 55.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 51.1 mm -90.42 121.95 41.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.55 HD11 ' CB ' ' A' ' 26' ' ' PHE . 18.6 mt -119.12 129.97 74.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.2 m -76.61 114.23 15.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.727 HD11 ' HB2' ' A' ' 10' ' ' ALA . 11.4 mt -75.67 110.05 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.16 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.574 HG21 ' CZ ' ' A' ' 51' ' ' ARG . 13.4 mm -80.76 -56.57 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -136.78 165.1 26.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.497 ' HG2' ' CD1' ' A' ' 43' ' ' TRP . 74.1 mt-30 -125.54 75.37 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 37' ' ' GLN . 12.9 mtpt -36.05 -42.01 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -164.53 175.94 9.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.17 -6.98 38.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.426 ' CD2' ' N ' ' A' ' 41' ' ' HIS . 3.3 m-70 -114.81 -29.82 6.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -116.51 116.86 28.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.497 ' CD1' ' HG2' ' A' ' 37' ' ' GLN . 33.3 m0 -114.1 159.86 19.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.413 HG23 ' HG3' ' A' ' 38' ' ' LYS . 49.3 t -126.27 119.95 55.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.098 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.15 -178.58 15.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.537 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -132.1 123.42 27.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.846 0.355 . . . . 0.0 110.869 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.3 tp -154.45 144.81 22.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.929 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 56.92 30.46 18.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.43 24.93 75.03 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.439 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.0 mt -123.37 162.27 23.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.858 0.361 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.574 ' CZ ' HG21 ' A' ' 35' ' ' ILE . 36.1 mtp180 -142.13 121.92 13.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -157.14 -167.01 17.63 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.553 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.517 ' CZ2' ' OE2' ' A' ' 23' ' ' GLU . 19.2 p-90 -106.25 163.76 12.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.712 0.291 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 4.5 p90 -173.74 152.58 2.04 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.693 0.758 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.56 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 55.0 Cg_endo -69.68 127.71 15.05 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.656 2.238 . . . . 0.0 112.404 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.24 -42.25 99.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.5 pttm -45.65 -32.7 2.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.813 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.657 ' CE2' HD11 ' A' ' 14' ' ' LEU . 10.8 m-85 -69.08 -35.14 76.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.1 m -111.91 -178.83 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -143.5 142.58 31.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.2 t -72.29 152.61 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.603 HD11 ' HB2' ' A' ' 11' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.834 0.349 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.633 ' O ' HD12 ' A' ' 62' ' ' LEU . 45.5 mtt180 -146.83 129.05 15.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -111.69 144.9 40.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp -100.98 125.27 47.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.93 127.31 32.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.218 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.516 ' HB2' HD23 ' A' ' 14' ' ' LEU . 62.5 mt -83.29 -19.66 35.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.516 HD23 ' HB2' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -156.33 -176.15 5.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 179.844 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -85.84 105.37 16.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.571 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 72.3 t80 -93.39 104.26 16.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -84.05 106.25 15.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.7 ptt-85 -59.84 131.23 50.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.8 t-160 -83.39 -43.51 15.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -113.6 163.44 14.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -56.1 -42.89 77.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.7 -38.97 79.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.458 ' HG2' ' NE1' ' A' ' 53' ' ' TRP . 3.8 mm-40 -64.75 132.6 50.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.6 tp -89.63 112.68 23.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.06 150.28 20.87 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.403 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 16' ' ' PHE . 8.2 p90 -156.04 -176.91 6.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 84.9 mmt-85 -127.31 154.03 45.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.413 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 68.0 tttt -46.11 142.35 2.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.413 ' ND2' ' HG2' ' A' ' 28' ' ' LYS . 3.3 m120 63.34 47.52 3.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -122.92 138.81 54.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.496 ' O ' HD13 ' A' ' 47' ' ' LEU . 35.4 mm -99.19 124.0 52.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.072 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.428 HG12 HD22 ' A' ' 47' ' ' LEU . 17.3 mt -118.34 126.3 74.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.202 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 55.3 m -73.67 107.09 5.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.8 mt -66.23 120.62 13.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.125 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.3 mm -95.25 -57.02 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t -137.17 172.7 12.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.444 ' OE1' ' CG ' ' A' ' 43' ' ' TRP . 8.6 mm-40 -131.72 97.05 4.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.503 ' HG3' HG23 ' A' ' 44' ' ' VAL . 19.2 mtpp -62.97 -54.54 36.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -134.41 176.41 8.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -64.22 -6.52 6.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -129.01 -47.41 1.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.3 t -78.12 100.01 6.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.444 ' CG ' ' OE1' ' A' ' 37' ' ' GLN . 53.5 m0 -108.89 152.86 24.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.02 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.503 HG23 ' HG3' ' A' ' 38' ' ' LYS . 62.3 t -112.74 108.14 24.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.125 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.95 -176.38 19.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.464 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -128.88 124.47 35.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.843 0.354 . . . . 0.0 110.922 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.496 HD13 ' O ' ' A' ' 31' ' ' ILE . 12.2 tp -155.8 134.19 11.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 27.1 m120 62.68 32.88 15.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.1 19.2 73.68 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.511 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.5 mt -122.61 136.19 54.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.719 0.295 . . . . 0.0 110.949 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -121.39 109.15 14.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -149.22 -177.5 23.42 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.458 ' NE1' ' HG2' ' A' ' 23' ' ' GLU . 16.5 p-90 -89.76 167.58 12.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.905 0.383 . . . . 0.0 110.896 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.431 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 8.0 p90 -174.89 152.15 1.5 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.697 0.761 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 103.45 1.16 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.709 2.273 . . . . 0.0 112.354 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.47 -38.92 9.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.18 -38.82 19.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -63.62 -28.52 69.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.795 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.2 m -113.68 177.88 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -128.11 143.25 51.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 59.8 t -76.54 151.59 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.158 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.633 HD12 ' O ' ' A' ' 9' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.6 mtm180 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.79 0.328 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.4 mtt85 -150.76 134.22 16.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.503 ' HB1' ' CG2' ' A' ' 59' ' ' VAL . . . -114.43 143.33 45.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.409 ' HB3' HD21 ' A' ' 62' ' ' LEU . 25.2 ttpt -102.05 125.46 48.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.71 124.3 23.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.049 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.5 mt -84.37 -14.72 48.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.467 ' N ' HD23 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -158.53 -176.4 5.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.904 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.24 141.13 35.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -135.18 123.46 23.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -110.31 90.54 3.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.816 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.434 ' HB3' ' N ' ' A' ' 25' ' ' GLY . 0.3 OUTLIER -39.36 117.44 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -94.08 28.96 2.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -167.83 136.37 2.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -44.19 -32.89 1.37 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -79.96 -43.13 22.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.455 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 33.8 mt-10 -53.18 138.42 31.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.7 tp -96.39 116.86 29.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.949 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.434 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -91.26 160.25 26.87 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.457 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.441 ' CG ' HD11 ' A' ' 32' ' ' ILE . 10.5 p90 -167.73 175.78 6.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 0.0 110.901 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.428 ' C ' ' OD1' ' A' ' 30' ' ' ASP . 13.3 mmm180 -113.72 173.71 6.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -69.17 145.42 53.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.779 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 61.1 37.56 17.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.428 ' OD1' ' C ' ' A' ' 27' ' ' ARG . 3.5 m-20 -113.69 138.63 49.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.1 mm -93.5 128.39 44.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.51 HG12 HD13 ' A' ' 47' ' ' LEU . 18.9 mt -125.82 130.54 72.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.08 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.491 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 55.6 m -74.07 135.95 43.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.235 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.1 mt -96.1 117.14 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.4 mm -89.44 -57.55 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -141.63 173.48 11.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -129.25 84.11 2.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -55.88 -43.72 77.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.957 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -142.17 139.82 32.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -40.87 -39.04 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -87.28 -40.49 14.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 62.3 m -99.48 115.49 29.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.425 ' CD2' ' HB2' ' A' ' 56' ' ' ALA . 53.2 m0 -112.45 159.23 18.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 51.7 t -115.28 115.73 50.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -117.57 -162.31 12.44 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.426 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 33' ' ' THR . 5.4 tt0 -147.46 123.06 10.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 0.0 110.947 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.51 HD13 HG12 ' A' ' 32' ' ' ILE . 5.1 tp -149.83 147.84 28.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 46.75 35.65 3.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.82 31.81 79.35 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.434 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.3 mt -128.97 129.24 45.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.828 0.347 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -114.18 106.82 14.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -147.49 -168.88 14.36 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.402 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.455 ' CE2' ' HG2' ' A' ' 23' ' ' GLU . 17.1 p-90 -101.77 166.5 10.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.841 0.353 . . . . 0.0 110.898 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 6.9 p90 -174.53 151.97 1.63 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.581 0.705 . . . . 0.0 110.915 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 114.06 3.58 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.716 2.277 . . . . 0.0 112.33 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.425 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -57.13 -34.59 68.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.1 pttt -53.28 -32.0 46.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -69.1 -30.74 69.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.503 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 4.8 m -112.87 176.02 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -128.75 130.01 46.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.1 t -63.5 150.74 9.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.409 HD21 ' HB3' ' A' ' 11' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.526 ' NE ' ' CG1' ' A' ' 61' ' ' VAL . 17.2 ttt180 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.819 0.343 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.2 mtt-85 -142.23 133.17 25.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.449 ' HB2' HD11 ' A' ' 34' ' ' ILE . . . -115.58 143.31 45.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -99.66 132.2 45.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.98 105.97 7.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.7 mt -65.85 -18.48 65.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -156.83 171.35 20.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -81.34 135.45 35.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -123.59 137.17 54.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -107.5 100.87 10.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.416 ' HB3' ' N ' ' A' ' 25' ' ' GLY . 16.5 ptt85 -60.08 127.72 33.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.91 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -84.94 -58.79 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.866 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -94.25 159.46 15.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.58 -36.98 67.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -63.49 -28.05 69.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.401 ' CD ' ' CZ2' ' A' ' 53' ' ' TRP . 4.3 mm-40 -75.6 132.62 40.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 36.9 tp -97.68 107.94 20.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.416 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -81.44 157.86 38.91 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.427 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -159.32 179.71 8.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.875 0.369 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -119.66 168.97 10.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -65.6 139.03 58.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 63.48 39.2 9.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -114.44 134.58 54.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.3 mm -87.7 127.82 40.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.096 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.412 HG12 HD22 ' A' ' 47' ' ' LEU . 27.1 mt -124.08 124.97 70.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.18 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.489 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 98.6 m -71.38 132.61 45.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.449 HD11 ' HB2' ' A' ' 10' ' ' ALA . 17.9 mt -95.82 112.39 28.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.1 mm -86.52 -63.32 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.176 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -131.59 162.7 29.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -126.84 84.62 2.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -51.82 -52.65 47.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 41' ' ' HIS . 0.2 OUTLIER -136.7 140.18 42.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.855 179.885 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -38.54 -27.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.475 ' N ' ' O ' ' A' ' 39' ' ' ASP . 11.7 m-70 -93.52 -60.48 1.76 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 90.4 m -84.33 112.47 20.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.812 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.6 m0 -111.19 161.33 16.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.1 t -118.33 117.03 53.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.489 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -120.1 -163.55 12.23 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.501 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -141.25 123.7 15.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.876 0.369 . . . . 0.0 110.952 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.412 HD22 HG12 ' A' ' 32' ' ' ILE . 10.3 tp -153.22 145.56 23.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.951 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 55.61 29.06 12.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.06 23.88 77.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.456 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.2 mt -121.27 163.77 18.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.751 0.31 . . . . 0.0 110.939 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.4 mtm180 -142.32 112.06 6.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -153.87 -170.64 20.1 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.444 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.401 ' CZ2' ' CD ' ' A' ' 23' ' ' GLU . 19.1 p-90 -96.93 163.79 12.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -171.53 151.55 2.97 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.68 0.752 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.94 119.78 6.66 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.628 2.219 . . . . 0.0 112.408 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.64 -35.94 81.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.038 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.14 -28.27 10.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.972 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -74.22 -33.7 63.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.811 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.8 m -108.73 177.68 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.111 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -133.61 129.73 37.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.526 ' CG1' ' NE ' ' A' ' 8' ' ' ARG . 42.6 t -63.74 150.48 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.186 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 62.8 mtt-85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.86 0.362 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -143.79 145.91 32.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -127.9 147.6 50.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.104 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.409 ' C ' ' HD2' ' A' ' 11' ' ' LYS . 4.5 tmmm? -100.67 127.48 47.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.73 103.28 2.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.5 HD21 ' CB ' ' A' ' 60' ' ' GLU . 13.0 mt -63.82 -22.08 66.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -152.01 172.35 16.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.965 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.31 147.08 34.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -135.6 130.51 34.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -106.95 92.98 4.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.441 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 8.4 ptt180 -44.09 120.05 1.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -95.83 26.4 4.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -164.09 141.79 7.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.804 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -49.41 -31.8 10.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -81.18 -43.32 19.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.419 ' CD ' ' CZ2' ' A' ' 53' ' ' TRP . 4.1 mm-40 -49.08 137.98 12.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.1 tp -96.36 111.39 23.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.58 150.52 22.56 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.453 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.429 ' CB ' HD11 ' A' ' 32' ' ' ILE . 2.3 p90 -150.11 -177.5 5.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.831 0.348 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -127.52 168.02 15.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -60.0 139.35 57.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 62.13 44.1 8.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -119.71 134.29 55.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.805 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.9 mm -92.47 128.56 43.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.429 HD11 ' CB ' ' A' ' 26' ' ' PHE . 17.8 mt -124.61 126.05 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.058 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.486 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 94.4 m -71.84 136.26 46.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.125 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 59.1 mt -96.79 113.18 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.1 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.5 mm -87.25 -63.52 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.119 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -132.57 161.52 33.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -118.69 81.4 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.8 mtmt -47.53 -49.06 27.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -133.8 -175.77 3.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.855 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -78.27 -36.53 46.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -95.17 -35.49 11.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.2 m -97.38 116.62 29.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.7 m0 -115.37 155.6 27.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 52' ' ' GLY . 84.4 t -113.6 121.63 66.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.486 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -129.58 -169.35 12.52 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.408 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -129.78 138.13 50.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.918 0.39 . . . . 0.0 110.82 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.9 tp -166.62 148.55 6.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 47.02 36.61 4.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.84 29.5 75.19 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.536 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.0 mt -128.68 158.28 38.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.845 0.355 . . . . 0.0 110.844 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.8 mtm105 -141.8 110.86 6.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.458 ' O ' HG13 ' A' ' 44' ' ' VAL . . . -154.08 -167.47 16.23 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.419 ' CZ2' ' CD ' ' A' ' 23' ' ' GLU . 12.4 p-90 -96.84 165.71 11.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.803 0.335 . . . . 0.0 110.927 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -172.36 152.54 2.74 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.712 0.768 . . . . 0.0 110.813 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 109.64 2.35 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.679 2.253 . . . . 0.0 112.35 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.83 -35.47 61.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.177 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.62 -34.01 49.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -67.03 -26.99 67.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.0 m -115.62 171.37 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.195 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.5 ' CB ' HD21 ' A' ' 13' ' ' LEU . 20.2 tp10 -126.24 136.08 52.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.515 ' O ' HD23 ' A' ' 62' ' ' LEU . 91.5 t -66.86 158.08 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.036 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.515 HD23 ' O ' ' A' ' 61' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.781 0.324 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.9 mtm-85 -142.24 136.58 29.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -120.08 146.1 46.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.051 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -98.82 131.38 44.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.09 119.32 19.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.553 HD21 ' HB2' ' A' ' 60' ' ' GLU . 9.7 mt -77.8 -18.63 56.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -158.11 175.39 13.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.22 133.6 33.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -116.34 130.61 56.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -100.14 101.92 13.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 ptt-85 -70.5 127.73 33.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.573 ' CE1' ' CD ' ' A' ' 23' ' ' GLU . 16.6 p-80 -89.12 -38.47 14.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -106.37 145.2 32.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -46.16 -45.09 16.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.23 -48.02 74.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.573 ' CD ' ' CE1' ' A' ' 19' ' ' HIS . 13.1 mt-10 -55.48 118.7 4.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.5 tp -82.56 110.8 17.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.11 167.67 38.09 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -167.12 -177.31 3.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.836 0.351 . . . . 0.0 110.912 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -122.2 164.54 17.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -61.71 141.1 58.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 61.9 47.81 5.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -123.92 144.41 49.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.9 mm -96.13 129.28 46.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.192 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.5 mt -126.25 132.77 70.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.478 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 77.2 m -79.73 138.64 37.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.1 mt -98.11 112.77 30.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.3 mm -85.96 -64.58 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.074 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -131.12 164.73 24.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -133.45 102.58 5.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.924 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.467 ' N ' ' HE2' ' A' ' 38' ' ' LYS . 1.0 OUTLIER -74.09 -58.23 3.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -117.53 167.91 10.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -61.86 -31.49 71.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -99.34 -48.52 4.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.427 ' HG ' ' HZ3' ' A' ' 53' ' ' TRP . 73.9 m -79.92 110.98 15.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.7 m0 -117.4 163.84 15.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 52' ' ' GLY . 99.5 t -120.17 120.64 63.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.478 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -124.01 -171.98 13.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.495 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -135.88 123.14 21.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.926 0.393 . . . . 0.0 110.862 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.7 tp -152.72 152.29 31.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 48.42 31.13 2.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.8 29.15 72.65 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.466 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.7 mt -126.75 158.98 35.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.885 0.374 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 -138.24 118.48 13.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.407 ' O ' HG13 ' A' ' 44' ' ' VAL . . . -161.92 -166.15 20.15 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.448 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.427 ' HZ3' ' HG ' ' A' ' 42' ' ' CYS . 7.4 p-90 -102.78 163.86 11.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.847 0.356 . . . . 0.0 110.92 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -167.26 150.46 5.99 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.655 0.741 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.77 108.64 2.13 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.665 2.243 . . . . 0.0 112.316 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.8 -28.45 56.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.194 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.6 pttt -57.21 -24.12 52.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -78.01 -32.48 51.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.6 m -109.59 171.29 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.553 ' HB2' HD21 ' A' ' 13' ' ' LEU . 23.7 tt0 -125.48 134.31 52.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.82 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.9 t -68.22 150.96 10.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.8 mtt-85 . . . . . 0 C--O 1.233 0.233 0 CA-C-O 120.807 0.337 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.425 ' O ' HD12 ' A' ' 62' ' ' LEU . 24.7 mtt180 -145.97 132.94 20.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.838 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.449 ' HB2' HD11 ' A' ' 34' ' ' ILE . . . -114.03 141.23 47.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.417 ' C ' ' HD2' ' A' ' 11' ' ' LYS . 4.2 tmmm? -98.67 131.89 44.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.97 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.671 ' HB3' ' H ' ' A' ' 30' ' ' ASP . . . -73.71 131.47 41.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.484 ' HB2' HD23 ' A' ' 14' ' ' LEU . 66.6 mt -87.58 -28.9 21.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.484 HD23 ' HB2' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -146.64 -175.53 4.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.424 ' CG ' ' O ' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -84.55 118.04 24.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.874 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -111.4 105.16 13.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -89.28 107.89 19.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.459 ' HB3' ' N ' ' A' ' 25' ' ' GLY . 18.0 ptt-85 -62.02 123.97 19.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.1 p-80 -85.88 -31.55 22.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -114.51 151.2 33.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -51.1 -40.58 58.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.39 -45.83 91.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.476 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 9.8 mt-10 -57.09 138.6 54.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.0 tp -101.01 108.14 19.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.459 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -82.67 158.75 37.54 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.473 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.46 ' CG ' HD11 ' A' ' 32' ' ' ILE . 8.6 p90 -165.2 160.24 18.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.858 0.361 . . . . 0.0 110.898 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -92.12 174.73 7.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -68.37 140.9 55.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 59.81 37.97 21.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.671 ' H ' ' HB3' ' A' ' 12' ' ' ALA . 1.0 OUTLIER -106.12 129.84 54.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.9 mm -82.99 131.84 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.46 HD11 ' CG ' ' A' ' 26' ' ' PHE . 14.6 mt -130.65 130.35 64.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.457 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 67.7 m -74.88 135.0 41.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.449 HD11 ' HB2' ' A' ' 10' ' ' ALA . 66.7 mt -95.71 112.44 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.6 mm -87.88 -63.44 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.188 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -135.3 161.59 34.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -118.21 124.84 48.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.3 mttm -90.47 -63.45 1.27 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -128.2 176.23 7.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.788 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -62.96 -38.9 92.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -106.59 20.6 18.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 79.5 m -147.92 108.23 4.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.1 m0 -119.51 156.67 29.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 93.6 t -112.17 119.69 60.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.457 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -124.55 -167.17 12.6 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -137.23 126.41 24.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.85 0.357 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.3 tp -155.85 150.14 25.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 49.64 29.88 3.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.32 32.54 68.46 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.503 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.7 mt -130.28 164.35 24.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.707 0.289 . . . . 0.0 111.041 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 -142.33 107.9 5.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -150.21 -174.94 21.86 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.476 ' CE2' ' HG2' ' A' ' 23' ' ' GLU . 12.7 p-90 -92.94 168.86 10.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -174.49 152.18 1.67 Allowed Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 121.684 0.754 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 114.93 3.85 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.773 2.316 . . . . 0.0 112.362 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.74 -41.71 67.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.165 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.52 -39.49 34.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -62.15 -26.85 68.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.0 m -116.18 176.37 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.157 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -130.76 131.78 44.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.6 t -69.73 150.17 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.181 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.425 HD12 ' O ' ' A' ' 9' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 34.5 mtt180 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.788 0.327 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.9 mtt180 -148.74 133.56 17.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -115.69 164.72 13.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.5 ttpp -117.03 134.89 54.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.814 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.456 ' HA ' HG12 ' A' ' 59' ' ' VAL . . . -80.43 119.45 23.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.015 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.416 HD21 ' HB2' ' A' ' 60' ' ' GLU . 5.8 mt -81.05 -9.68 59.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.965 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -162.31 -179.85 7.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.83 142.84 29.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.944 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -137.25 115.85 12.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -92.29 105.2 17.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.481 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 24.9 ptt-85 -50.89 108.79 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.905 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -59.79 -59.21 5.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -89.2 142.68 27.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -44.97 -32.25 1.57 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.792 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -73.07 -46.12 53.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.77 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -44.15 154.19 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.974 0.416 . . . . 0.0 110.83 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.2 tp -107.29 117.37 33.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.419 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -98.8 138.86 14.12 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.437 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.671 ' CG ' HD11 ' A' ' 32' ' ' ILE . 0.8 OUTLIER -134.28 -178.2 4.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 0.0 110.905 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -123.39 166.69 14.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -61.53 135.77 57.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 63.57 43.24 5.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -118.84 147.22 44.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.956 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.422 ' O ' HD13 ' A' ' 47' ' ' LEU . 32.3 mm -97.74 130.71 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.119 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.671 HD11 ' CG ' ' A' ' 26' ' ' PHE . 22.2 mt -126.75 126.29 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.069 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.49 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 93.6 m -70.06 138.97 52.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.6 mt -101.48 110.7 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.144 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.9 mm -87.63 -64.57 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t -127.23 173.4 9.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -132.43 79.42 1.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -44.95 -66.12 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -125.49 156.89 38.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -52.54 -16.71 0.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 -108.23 -50.1 3.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 71.2 m -88.74 117.21 27.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.6 m0 -116.01 154.42 29.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.5 t -113.51 119.57 61.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -125.55 -169.56 12.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.534 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -131.62 132.65 44.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.877 0.37 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.613 HD22 HG12 ' A' ' 32' ' ' ILE . 12.7 tp -167.26 149.06 5.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.3 m120 55.24 25.55 7.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.54 19.84 79.75 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.0 mt -122.42 158.3 30.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.756 0.313 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -136.55 107.45 6.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.58 -169.62 15.59 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.515 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 17.2 p-90 -98.89 162.42 13.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.789 0.328 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -166.36 152.89 8.42 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.667 0.746 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 122.0 8.7 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.381 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.86 -27.98 67.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -63.85 -9.16 13.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -93.19 -23.83 18.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.456 HG12 ' HA ' ' A' ' 12' ' ' ALA . 4.9 m -120.39 172.82 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.109 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.416 ' HB2' HD21 ' A' ' 13' ' ' LEU . 12.0 tp10 -127.8 130.78 49.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.8 t -68.36 150.45 10.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 82.5 mtt-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.768 0.318 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.547 ' O ' HD12 ' A' ' 62' ' ' LEU . 67.0 mtt180 -144.95 129.88 18.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.826 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.511 ' HB1' ' CG2' ' A' ' 59' ' ' VAL . . . -109.02 141.48 41.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -99.48 125.85 45.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.466 ' HB3' ' H ' ' A' ' 30' ' ' ASP . . . -68.75 119.95 13.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.051 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.508 ' HB2' HD23 ' A' ' 14' ' ' LEU . 22.7 mt -78.62 -14.2 59.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.508 HD23 ' HB2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -157.51 179.36 9.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -86.21 103.53 14.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.547 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 25.7 t80 -88.48 124.89 34.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -102.05 100.32 10.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.419 ' HB3' ' N ' ' A' ' 25' ' ' GLY . 9.8 ptt85 -54.18 128.14 29.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -79.69 -44.89 19.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -121.07 158.45 27.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -46.32 -42.24 14.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -55.59 -46.92 77.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.778 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.555 ' OE2' ' CH2' ' A' ' 53' ' ' TRP . 4.2 mm-40 -61.47 137.74 58.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.4 tp -94.84 106.16 18.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.969 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.419 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -81.75 142.35 22.55 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.536 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.547 ' CE1' ' HB2' ' A' ' 16' ' ' PHE . 7.0 p90 -150.95 161.41 42.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.884 0.373 . . . . 0.0 110.868 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.457 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -97.86 -177.25 3.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -70.79 142.89 51.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 55.46 40.29 31.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.466 ' H ' ' HB3' ' A' ' 12' ' ' ALA . 1.0 OUTLIER -107.19 123.43 48.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.494 ' O ' ' CD1' ' A' ' 47' ' ' LEU . 34.4 mm -77.03 134.63 28.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.179 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.5 HG12 HD13 ' A' ' 47' ' ' LEU . 17.8 mt -134.65 128.09 50.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.177 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.492 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 89.0 m -74.61 136.94 42.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.18 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 48.7 mt -96.67 112.6 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 18.8 mm -87.51 -65.04 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.154 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -131.29 163.44 27.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.819 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -118.43 80.72 1.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.896 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -49.15 -52.85 23.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.977 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -130.91 167.28 19.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -63.5 -36.38 83.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.793 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -95.28 -35.19 11.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 78.6 m -96.82 121.7 38.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.6 m0 -119.23 153.35 35.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.7 t -112.4 114.33 46.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.492 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -121.12 -168.73 13.58 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -134.37 131.13 37.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.873 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.5 HD13 HG12 ' A' ' 32' ' ' ILE . 8.1 tp -153.44 142.77 21.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 44.15 39.82 3.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.53 32.52 83.6 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.422 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 33.2 mt -128.4 131.76 48.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.847 0.356 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.5 mtm-85 -116.8 109.31 16.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.803 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -152.87 -175.55 24.46 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.451 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.555 ' CH2' ' OE2' ' A' ' 23' ' ' GLU . 23.4 p-90 -94.5 167.2 11.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.842 0.353 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.9 p90 -173.43 152.29 2.12 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.608 0.718 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 117.79 5.29 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.704 2.269 . . . . 0.0 112.375 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.95 -37.98 77.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -53.83 -36.06 62.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -63.48 -34.47 77.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.855 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.511 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 7.5 m -108.09 175.3 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.157 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -125.74 135.12 51.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 20.0 t -69.7 144.21 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.547 HD12 ' O ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.969 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.6 mtm-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.84 0.353 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.527 ' O ' HD12 ' A' ' 62' ' ' LEU . 73.9 mtt180 -150.91 130.02 12.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -111.11 159.18 18.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.6 ttpp -112.09 129.7 56.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.85 115.01 12.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.179 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.408 HD21 ' HB2' ' A' ' 60' ' ' GLU . 10.0 mt -74.52 -19.04 60.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -153.04 -177.02 6.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.991 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.97 138.89 31.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.784 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.421 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 57.2 t80 -133.71 118.28 17.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 18' ' ' ARG . 8.2 pt-20 -101.49 88.56 3.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' GLU . 17.1 ptt-85 -37.23 127.6 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -86.46 -40.53 15.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -98.6 169.39 9.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -69.47 -37.96 77.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -71.43 -36.86 71.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.816 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -56.59 139.7 49.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.4 tp -98.9 122.61 42.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.78 163.93 24.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.427 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.421 ' CE1' ' HB3' ' A' ' 16' ' ' PHE . 5.6 p90 -169.15 176.15 5.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.898 0.38 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -119.08 160.85 21.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.8 tttt -56.42 142.22 39.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 60.52 47.65 8.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.828 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -123.15 137.96 54.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 49.3 mm -90.76 130.79 39.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.095 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 17.8 mt -127.43 132.72 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.082 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 93.2 m -81.32 128.54 33.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.145 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.8 mt -87.01 120.84 37.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.183 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.0 mm -94.34 -61.99 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.069 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t -139.82 133.38 30.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -102.33 88.79 3.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -53.17 -69.3 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -107.43 172.46 6.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.964 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -63.4 -27.24 69.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -105.93 -47.48 3.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.1 m -80.16 110.14 15.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.47 ' CE3' ' HB2' ' A' ' 56' ' ' ALA . 54.7 m0 -118.21 161.03 20.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.945 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.7 t -120.28 115.33 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.031 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.75 -159.02 12.31 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.437 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -147.93 123.73 10.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.859 0.361 . . . . 0.0 110.914 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.459 HD23 HD22 ' A' ' 48' ' ' ASN . 4.9 tp -155.82 151.29 27.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.459 HD22 HD23 ' A' ' 47' ' ' LEU . 16.6 m-80 51.62 30.43 6.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.67 23.87 76.52 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.549 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.2 mt -122.27 157.37 31.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.775 0.321 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -138.13 109.42 6.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -151.79 -176.83 24.93 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.524 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 12.4 p-90 -91.73 164.22 13.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.829 0.347 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.408 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 9.5 p90 -171.39 150.5 2.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.75 0.786 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.481 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 53.6 Cg_endo -69.83 106.4 1.67 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.759 2.306 . . . . 0.0 112.259 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.47 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . . . -51.36 -34.91 36.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.162 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.96 -28.56 6.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.481 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 10.1 m-85 -72.04 -34.36 68.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.883 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.9 m -111.29 177.36 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.113 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.408 ' HB2' HD21 ' A' ' 13' ' ' LEU . 47.5 tp10 -129.14 138.33 51.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.487 HG12 ' N ' ' A' ' 62' ' ' LEU . 41.2 t -71.25 158.05 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.527 HD12 ' O ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.402 ' HB3' HD12 ' A' ' 34' ' ' ILE . 23.1 ttt180 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.858 0.361 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.493 ' O ' HD12 ' A' ' 62' ' ' LEU . 56.3 mtt180 -150.79 127.9 11.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.84 140.41 48.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.104 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -93.69 133.56 36.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.87 131.82 39.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.051 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.2 mt -91.75 -19.73 22.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -154.73 169.6 23.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.982 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.01 129.58 35.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -132.31 116.42 16.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -98.37 98.49 9.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.452 ' HB3' ' N ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -40.29 147.84 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.899 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -105.95 -52.47 2.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -85.33 153.74 22.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -53.63 -26.23 21.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.832 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -84.56 -44.06 13.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.842 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.529 ' CD ' ' CZ2' ' A' ' 53' ' ' TRP . 5.2 mm-40 -48.62 136.02 13.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.4 tp -101.41 124.85 47.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.452 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -98.76 160.83 20.27 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -161.9 177.77 9.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.802 0.334 . . . . 0.0 110.872 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -120.66 166.1 14.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.808 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.9 tttp -60.25 143.33 52.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.447 HD22 ' N ' ' A' ' 29' ' ' ASN . 0.9 OUTLIER 60.43 43.49 13.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.948 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -120.61 141.06 50.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.838 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.501 ' O ' HD13 ' A' ' 47' ' ' LEU . 8.9 mm -96.44 136.29 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.468 HG23 ' O ' ' A' ' 46' ' ' GLU . 14.3 mt -132.79 126.07 53.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.481 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 91.7 m -73.94 128.69 36.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.402 HD12 ' HB3' ' A' ' 8' ' ' ARG . 18.2 mt -89.51 117.72 33.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.155 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 18.9 mm -90.61 -64.15 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -135.73 113.86 11.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -82.18 88.36 6.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.5 tttt -41.41 -55.63 2.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.973 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.583 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -148.78 178.89 8.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.844 179.801 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -67.52 -3.65 9.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -117.51 -49.38 2.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.797 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -98.58 117.65 33.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.583 ' CD1' ' O ' ' A' ' 39' ' ' ASP . 53.9 m0 -118.53 152.26 36.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.5 t -117.42 108.2 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.188 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.481 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -118.69 -159.11 11.0 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.468 ' O ' HG23 ' A' ' 32' ' ' ILE . 8.2 tm-20 -144.07 142.64 30.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.925 0.393 . . . . 0.0 110.77 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 31' ' ' ILE . 14.6 tp -167.45 136.05 2.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 51.94 38.69 24.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.434 ' O ' HD23 ' A' ' 50' ' ' LEU . . . 65.17 34.52 89.86 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.504 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 49' ' ' GLY . 26.4 mt -133.56 126.48 31.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.898 0.38 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 51' ' ' ARG . 8.6 ttp-105 -117.7 121.99 42.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -166.27 -173.35 34.59 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.58 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.529 ' CZ2' ' CD ' ' A' ' 23' ' ' GLU . 10.3 p-90 -92.47 164.96 13.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.876 0.37 . . . . 0.0 110.897 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.5 p90 -173.2 152.69 2.29 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.68 0.752 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 110.78 2.66 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.636 2.224 . . . . 0.0 112.332 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.495 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -52.35 -41.77 63.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.117 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.4 ptmt -45.13 -41.74 8.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -59.12 -33.17 70.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.9 m -113.81 -179.01 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.048 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -135.19 136.52 41.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.504 HG12 ' N ' ' A' ' 62' ' ' LEU . 77.3 t -67.96 157.59 6.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.504 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.4 mtt85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.797 0.332 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.471 ' O ' HD12 ' A' ' 62' ' ' LEU . 36.8 mtm180 -150.13 136.45 18.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.604 ' HB2' HD11 ' A' ' 34' ' ' ILE . . . -112.79 146.61 38.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.104 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.87 126.74 52.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.32 114.61 10.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.54 HD11 ' OE1' ' A' ' 60' ' ' GLU . 36.1 mt -73.25 -18.71 61.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.506 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -154.01 -176.24 5.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.824 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.61 150.19 23.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -150.47 124.39 9.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -105.33 97.59 7.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.05 160.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.2 m80 -115.77 -53.27 2.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 22' ' ' ASP . 9.3 t70 -87.01 128.76 35.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.876 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -38.32 -26.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.956 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 20' ' ' ASP . 38.8 m-20 -74.57 -46.14 40.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.533 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 43.2 mt-10 -54.01 157.58 2.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 46.0 tp -119.32 116.72 26.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.09 172.62 32.34 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.531 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.519 ' CG ' HD11 ' A' ' 32' ' ' ILE . 4.9 p90 -170.57 174.38 5.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 0.0 110.98 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -114.86 169.88 8.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.802 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.6 tttt -59.1 141.99 52.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 59.77 47.03 10.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -118.33 126.01 51.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.5 mm -87.09 117.55 31.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.074 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.519 HD11 ' CG ' ' A' ' 26' ' ' PHE . 17.7 mt -116.06 127.03 73.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.2 m -72.3 123.22 22.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.604 HD11 ' HB2' ' A' ' 10' ' ' ALA . 27.5 mt -82.63 121.27 35.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.0 mm -94.99 -56.48 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -143.77 173.87 11.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -133.61 91.99 2.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -59.22 -41.82 89.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -141.66 147.34 37.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -48.16 -36.91 14.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 -89.03 -32.76 17.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 93.5 m -106.75 114.11 28.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.467 ' CD2' ' HB2' ' A' ' 56' ' ' ALA . 48.8 m0 -108.0 170.19 8.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' ' 52' ' ' GLY . 48.1 t -127.73 122.8 59.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.047 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -126.22 -160.17 10.51 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.527 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -146.18 123.71 11.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.504 HD13 HG12 ' A' ' 32' ' ' ILE . 5.6 tp -154.4 143.81 21.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 58.06 29.03 17.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.71 20.34 79.63 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.435 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.7 mt -121.25 150.68 41.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.802 0.334 . . . . 0.0 110.953 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -133.08 112.38 11.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.591 ' O ' HG13 ' A' ' 44' ' ' VAL . . . -151.48 -168.98 16.56 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.536 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.533 ' CE2' ' HG2' ' A' ' 23' ' ' GLU . 27.6 p-90 -97.11 165.21 12.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.776 0.322 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.425 ' C ' ' CD1' ' A' ' 54' ' ' PHE . 7.4 p90 -174.59 152.4 1.66 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.479 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 53.6 Cg_endo -69.68 118.19 5.53 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.761 2.308 . . . . 0.0 112.349 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.467 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -59.32 -30.3 68.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.086 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.23 -27.57 55.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.479 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 15.3 m-85 -78.56 -18.71 54.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.438 HG22 ' HA ' ' A' ' 56' ' ' ALA . 29.0 m -121.87 174.97 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.54 ' OE1' HD11 ' A' ' 13' ' ' LEU . 23.7 tp10 -128.15 135.63 50.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.429 HG22 ' CZ3' ' A' ' 43' ' ' TRP . 15.0 t -72.31 145.94 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 9' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.61 ' HB3' HD12 ' A' ' 34' ' ' ILE . 20.3 ttt180 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.79 0.329 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -143.44 133.41 24.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.776 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -117.82 127.77 54.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.538 ' HB3' HD21 ' A' ' 62' ' ' LEU . 27.3 ttpt -86.32 125.95 33.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.837 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.493 ' HB3' ' H ' ' A' ' 30' ' ' ASP . . . -67.13 132.97 48.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.425 ' HB2' HD23 ' A' ' 14' ' ' LEU . 42.8 mt -85.93 -26.54 25.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.425 HD23 ' HB2' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -149.22 -176.33 5.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.954 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.42 ' O ' ' CG ' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -80.57 118.76 22.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.825 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.586 ' CB ' ' CE1' ' A' ' 26' ' ' PHE . 68.0 t80 -109.68 111.36 22.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.795 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -93.84 106.29 18.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.456 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 9.8 ptt180 -56.62 120.97 8.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -76.17 -53.31 8.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 21' ' ' ASP . 1.3 m-20 -97.29 142.39 29.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' ASP . 8.9 t70 -38.39 -41.11 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -63.15 -48.33 78.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.456 ' CB ' ' HB2' ' A' ' 18' ' ' ARG . 21.0 mt-10 -44.86 137.79 3.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 47.6 tp -100.12 106.68 18.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.424 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -79.78 169.15 53.05 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.46 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.586 ' CE1' ' CB ' ' A' ' 16' ' ' PHE . 8.3 p90 -173.04 161.13 4.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.895 0.378 . . . . 0.0 110.808 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -92.96 174.98 6.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.892 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.2 tttt -68.97 139.47 55.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 56.34 44.12 25.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.493 ' H ' ' HB3' ' A' ' 12' ' ' ALA . 1.5 m-20 -108.72 141.36 40.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 51.3 mm -87.45 129.28 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.473 HG12 HD13 ' A' ' 47' ' ' LEU . 17.8 mt -130.8 132.74 63.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.079 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.492 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 52.2 m -78.45 137.38 37.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.61 HD12 ' HB3' ' A' ' 8' ' ' ARG . 67.2 mt -97.94 110.77 26.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.8 mm -84.38 -61.84 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -140.46 158.49 43.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -109.63 132.87 53.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.485 ' HG3' HG23 ' A' ' 44' ' ' VAL . 38.6 mttm -99.63 -66.06 0.93 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -126.12 174.01 8.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.829 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -54.72 -49.63 70.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -103.64 27.78 7.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.782 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 43.1 m -146.55 105.62 3.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.8 m0 -118.09 154.03 32.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.919 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' ' 52' ' ' GLY . 73.5 t -110.76 115.11 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.492 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -120.05 -170.31 14.31 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.514 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -134.59 123.0 23.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.829 0.347 . . . . 0.0 110.917 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.489 HD23 HD22 ' A' ' 48' ' ' ASN . 5.2 tp -153.15 154.8 35.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.489 HD22 HD23 ' A' ' 47' ' ' LEU . 19.8 m-80 46.84 34.08 2.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.77 33.43 85.89 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.39 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 44.5 mt -129.13 163.16 26.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.813 0.339 . . . . 0.0 110.962 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.7 ttp85 -143.14 106.55 4.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.83 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.597 ' O ' HG13 ' A' ' 44' ' ' VAL . . . -152.78 -165.36 13.27 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.441 ' NE1' ' HG2' ' A' ' 23' ' ' GLU . 5.7 p-90 -100.58 167.47 10.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.8 0.333 . . . . 0.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -171.25 150.92 2.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.635 0.731 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.401 ' HD2' ' CZ ' ' A' ' 16' ' ' PHE . 53.8 Cg_endo -69.73 110.43 2.55 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.04 -32.71 48.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.051 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 58' ' ' PHE . 2.5 ptmt -56.0 -30.75 62.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.953 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.458 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 9.8 m-85 -72.8 -26.6 61.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.7 m -114.78 174.54 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -130.17 129.87 44.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.584 ' O ' HD23 ' A' ' 62' ' ' LEU . 90.1 t -57.81 157.95 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' ' 61' ' ' VAL . 1.1 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.421 ' HB3' HD12 ' A' ' 34' ' ' ILE . 30.2 mtm-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.838 0.351 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.9 mtm180 -147.54 130.55 16.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -113.23 142.4 45.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.7 ttpp -95.02 125.66 39.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.422 ' HB2' ' CD2' ' A' ' 26' ' ' PHE . . . -69.41 135.2 49.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.097 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.0 mt -85.23 -27.28 26.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.581 HD11 ' CD2' ' A' ' 58' ' ' PHE . 3.7 pp -147.05 -175.51 4.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.452 ' CG ' ' O ' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -89.02 115.88 26.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.822 179.86 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -109.02 107.29 17.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 18' ' ' ARG . 44.4 mt-10 -88.12 88.92 7.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.452 ' HB3' ' N ' ' A' ' 25' ' ' GLY . 6.0 ptt180 -34.51 121.36 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -74.48 -43.8 54.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -105.75 172.15 6.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.93 -47.06 82.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -57.79 -46.81 84.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.541 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 31.9 mt-10 -53.27 139.31 29.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.94 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.7 tp -99.66 118.73 36.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.452 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -91.97 137.33 13.7 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.451 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.462 ' CG ' HD11 ' A' ' 32' ' ' ILE . 9.3 p90 -143.45 157.17 44.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.458 ' HD3' ' N ' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -87.37 175.93 7.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.828 -179.882 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -70.38 134.54 47.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.807 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 61.34 42.78 11.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.04 129.33 55.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 22.7 mm -81.86 127.52 39.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.746 HG23 ' O ' ' A' ' 46' ' ' GLU . 13.0 mt -123.29 143.51 36.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.157 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 19.4 m -86.63 111.23 20.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.421 HD12 ' HB3' ' A' ' 8' ' ' ARG . 23.6 mt -68.17 112.63 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.9 mm -82.43 -59.2 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.8 t -143.37 176.42 9.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -127.92 76.41 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.6 tptt -47.7 -46.85 29.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -140.1 139.16 35.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -41.08 -39.7 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -83.33 -46.69 12.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 98.9 m -99.27 116.95 32.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 52.7 m0 -108.19 177.04 4.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.0 t -127.29 130.2 70.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.059 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.28 175.93 20.62 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.746 ' O ' HG23 ' A' ' 32' ' ' ILE . 10.6 tt0 -128.9 152.19 48.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.912 0.387 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.41 ' N ' ' HG2' ' A' ' 46' ' ' GLU . 12.1 tp -170.82 133.3 0.93 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.971 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 55.69 34.4 23.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.44 8.31 85.72 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 mt -125.57 128.81 48.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.824 0.345 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.44 ' HB3' ' CB ' ' A' ' 46' ' ' GLU . 22.0 ptt85 -128.37 159.14 36.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.24 -174.21 46.54 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.541 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.541 ' CE2' ' HG2' ' A' ' 23' ' ' GLU . 16.8 p-90 -84.07 156.2 22.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.922 0.391 . . . . 0.0 110.873 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -171.23 152.33 3.37 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.645 0.735 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.474 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 53.4 Cg_endo -69.82 111.6 2.87 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.49 -38.3 53.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.034 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -50.46 -36.33 32.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.581 ' CD2' HD11 ' A' ' 14' ' ' LEU . 10.0 m-85 -65.96 -27.99 68.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.777 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.4 m -113.79 173.09 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -127.37 138.57 53.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.455 HG12 ' N ' ' A' ' 62' ' ' LEU . 64.9 t -70.71 155.39 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.108 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.455 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.3 mtt85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.876 0.369 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.458 ' HD2' ' CG2' ' A' ' 31' ' ' ILE . 19.4 mtm180 -147.43 142.14 26.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.825 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -126.02 135.8 52.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -87.88 130.82 34.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.74 106.7 6.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.173 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.447 HD21 ' HB2' ' A' ' 60' ' ' GLU . 11.2 mt -62.07 -33.01 73.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -144.62 174.79 10.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.949 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -80.45 144.34 32.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -142.56 118.13 10.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -99.37 98.01 8.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.63 153.61 0.78 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.822 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -108.44 -51.93 2.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -90.28 141.72 28.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -42.68 -36.55 1.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -68.8 -48.81 62.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.43 ' HG2' ' NE1' ' A' ' 53' ' ' TRP . 40.4 mt-10 -51.2 134.57 27.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.802 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.436 ' CD1' ' HB2' ' A' ' 50' ' ' LEU . 38.9 tp -101.13 123.46 45.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.974 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.08 177.14 28.68 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.413 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.558 ' CG ' HD11 ' A' ' 32' ' ' ILE . 3.3 p90 -173.12 178.79 2.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 110.903 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -116.56 175.77 5.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.0 tttm -71.21 141.57 50.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 60.06 41.97 16.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.83 144.08 44.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.807 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.458 ' CG2' ' HD2' ' A' ' 9' ' ' ARG . 49.4 mm -95.59 124.28 48.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.558 HD11 ' CG ' ' A' ' 26' ' ' PHE . 28.7 mt -122.18 125.29 72.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.165 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.409 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 51.6 m -73.5 132.9 43.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.172 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.3 mt -94.3 111.37 25.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.086 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.7 mm -84.43 -65.4 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -124.05 153.37 41.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -112.97 79.52 1.24 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.447 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 25.5 tptt -39.29 -48.01 1.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.853 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.447 ' CG ' ' O ' ' A' ' 38' ' ' LYS . 31.5 m-20 -167.08 164.32 15.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -53.43 -15.57 1.1 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -101.01 -56.38 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.4 p -98.8 129.01 45.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.428 ' CH2' ' CG2' ' A' ' 61' ' ' VAL . 49.8 m0 -120.47 163.67 17.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 94.1 t -123.54 117.91 52.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -119.6 -166.45 13.33 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -145.82 125.11 13.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.89 0.376 . . . . 0.0 110.843 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 tp -156.79 147.81 21.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 48.26 34.18 4.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.48 ' O ' HD23 ' A' ' 50' ' ' LEU . . . 68.55 31.18 73.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.442 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' ' 49' ' ' GLY . 21.4 mt -130.69 128.5 41.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.781 0.324 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -122.15 106.9 11.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -149.66 -166.49 13.32 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.43 ' NE1' ' HG2' ' A' ' 23' ' ' GLU . 6.2 p-90 -94.94 163.67 13.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.866 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -171.65 152.81 3.24 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.594 0.711 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 111.34 2.8 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.75 2.3 . . . . 0.0 112.283 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 59' ' ' VAL . . . -55.15 -42.6 73.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -43.82 -36.63 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -65.06 -35.89 82.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.42 ' N ' ' O ' ' A' ' 56' ' ' ALA . 13.0 m -107.97 175.33 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.447 ' HB2' HD21 ' A' ' 13' ' ' LEU . 26.8 tp10 -131.02 127.65 38.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.527 HG12 ' N ' ' A' ' 62' ' ' LEU . 80.3 t -61.23 158.99 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.527 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.961 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.775 0.321 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.8 mtm180 -143.82 135.61 26.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.81 142.92 46.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -94.12 131.61 39.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.95 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.98 103.7 8.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.031 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.0 mt -61.75 -33.59 74.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -145.81 172.52 13.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -74.72 138.22 42.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.853 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -126.99 109.15 11.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -89.77 102.96 15.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 ptt180 -64.33 125.78 25.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.823 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -76.45 -47.0 24.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -108.23 143.52 36.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.798 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' ASP . 0.6 OUTLIER -41.6 -55.72 2.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' ASP . 20.6 m-20 -37.21 -53.46 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.82 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.508 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 3.7 mm-40 -55.14 156.51 3.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.1 tp -112.43 108.38 17.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.983 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.35 152.04 26.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.392 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.641 ' CB ' HD11 ' A' ' 32' ' ' ILE . 3.0 p90 -153.9 174.52 14.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.2 mmt85 -113.02 173.52 6.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.789 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -69.96 143.33 52.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.952 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 59.62 42.5 17.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -119.52 142.71 48.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.8 mm -94.14 126.86 46.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.19 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.641 HD11 ' CB ' ' A' ' 26' ' ' PHE . 20.4 mt -124.56 125.79 70.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.471 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 98.9 m -71.19 138.86 49.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.4 mt -99.94 114.45 38.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.6 mm -89.86 -64.07 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.102 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -124.94 160.18 29.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.834 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -135.53 111.0 9.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.4 -46.91 18.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 41' ' ' HIS . 23.2 p-10 -167.73 147.25 4.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.914 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -39.38 -26.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 39' ' ' ASP . 59.6 m170 -69.93 -53.14 19.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.782 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 19.6 m -130.78 135.82 48.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.804 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.505 ' HZ3' HG22 ' A' ' 61' ' ' VAL . 49.4 m0 -122.56 176.18 6.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.627 HG13 ' O ' ' A' ' 52' ' ' GLY . 92.2 t -125.18 125.31 69.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.471 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -129.73 -168.91 12.42 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.503 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -141.72 126.61 18.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 110.92 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.1 tp -156.31 147.66 22.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 55.64 33.12 20.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.51 31.36 76.41 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.527 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.6 mt -130.04 162.53 28.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.785 0.326 . . . . 0.0 110.996 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -140.11 107.09 5.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.946 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.627 ' O ' HG13 ' A' ' 44' ' ' VAL . . . -144.38 -157.84 7.37 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.46 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.508 ' CE2' ' HG2' ' A' ' 23' ' ' GLU . 7.7 p-90 -115.45 169.22 9.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.76 0.314 . . . . 0.0 110.934 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.44 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 4.7 p90 -173.5 152.77 2.18 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.637 0.732 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.69 115.67 4.19 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.621 2.214 . . . . 0.0 112.36 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.32 -38.76 71.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.98 -34.11 19.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -67.74 -32.64 73.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.0 m -110.68 179.19 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -131.79 128.54 39.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.505 HG22 ' HZ3' ' A' ' 43' ' ' TRP . 41.1 t -66.41 146.12 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.099 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.777 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.881 0.372 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.3 mtt85 -146.46 147.7 31.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.414 ' HB1' ' CG2' ' A' ' 59' ' ' VAL . . . -131.54 149.72 52.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.154 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.8 ttpp -97.8 128.8 44.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.68 103.19 4.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.192 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.6 mt -64.31 -23.59 67.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.971 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.656 HD12 ' O ' ' A' ' 15' ' ' ASP . 3.9 pp -152.81 176.01 12.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.656 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.2 t0 -82.4 134.26 35.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -120.71 113.51 20.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -90.89 94.16 9.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.407 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 24.6 ptt-85 -43.5 119.11 1.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -88.64 21.74 2.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -162.1 151.92 16.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.3 -26.89 65.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.902 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -86.74 -42.5 13.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -48.94 131.93 18.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.0 tp -89.81 110.63 21.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.72 166.86 29.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.497 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.438 ' CG ' HD11 ' A' ' 32' ' ' ILE . 2.5 p90 -161.89 179.76 7.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.801 0.334 . . . . 0.0 110.898 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -120.97 165.01 15.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.8 tttt -58.14 137.97 56.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 62.34 53.27 2.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -128.35 140.45 51.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.828 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.9 mm -93.47 131.51 40.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.438 HD11 ' CG ' ' A' ' 26' ' ' PHE . 31.8 mt -127.13 136.63 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.451 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 45.1 m -85.14 130.91 34.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.1 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.8 mt -92.74 111.39 24.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.229 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.593 HD11 ' OE1' ' A' ' 46' ' ' GLU . 3.5 mm -83.79 -64.94 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t -133.91 113.8 12.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -72.98 79.55 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.0 tttp -41.02 -47.35 3.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.527 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 2.7 p-10 -173.07 153.44 2.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.424 ' CD ' ' O ' ' A' ' 40' ' ' GLU . 11.1 tm-20 -49.97 -23.22 1.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -88.15 -34.14 17.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 82.3 m -137.49 122.46 18.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.527 ' CD1' ' O ' ' A' ' 39' ' ' ASP . 44.4 m0 -115.95 155.41 28.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.864 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.763 HG13 ' O ' ' A' ' 52' ' ' GLY . 89.1 t -115.76 115.07 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.101 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.451 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -119.96 -168.38 13.8 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.566 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.593 ' OE1' HD11 ' A' ' 35' ' ' ILE . 6.2 tt0 -136.31 122.89 20.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 0.0 110.879 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.417 HD13 HG12 ' A' ' 32' ' ' ILE . 5.9 tp -154.99 145.35 22.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 55.94 29.4 14.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.951 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.86 24.69 75.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.454 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.1 mt -124.21 149.39 46.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.791 0.329 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -132.09 116.0 16.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.801 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.763 ' O ' HG13 ' A' ' 44' ' ' VAL . . . -153.49 -154.08 6.62 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.563 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 18.9 p-90 -113.47 155.71 24.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.804 0.335 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -166.46 151.57 7.46 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.746 0.784 . . . . 0.0 110.82 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.582 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 52.7 Cg_endo -69.77 137.29 35.09 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.711 2.274 . . . . 0.0 112.278 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.41 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -79.36 -28.96 41.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.076 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.559 ' HD2' ' CD1' ' A' ' 58' ' ' PHE . 0.3 OUTLIER -59.79 -15.09 17.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.582 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 9.0 m-85 -82.51 -34.92 27.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.414 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 4.5 m -110.85 176.72 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -126.9 131.7 51.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.818 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 22.0 t -68.59 150.19 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.046 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.851 0.357 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.8 mtm-85 -132.54 133.91 44.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.493 ' HB1' ' CG2' ' A' ' 59' ' ' VAL . . . -119.89 128.67 53.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.034 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.417 ' C ' ' HD2' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -84.56 134.18 34.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.588 ' HB3' ' H ' ' A' ' 30' ' ' ASP . . . -71.8 126.3 29.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.1 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.622 ' HB2' HD23 ' A' ' 14' ' ' LEU . 59.4 mt -82.44 -28.25 31.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.622 HD23 ' HB2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -149.85 -178.24 6.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -84.33 119.39 25.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.821 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -116.85 103.71 10.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -87.15 112.58 22.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.31 157.16 38.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -112.15 -51.94 2.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -99.0 144.85 27.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -42.78 -38.38 2.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.93 -42.17 89.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.846 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.528 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 21.7 mt-10 -71.32 138.72 49.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 36.9 tp -108.79 116.28 31.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.39 161.47 27.55 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.476 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.74 ' CB ' HD11 ' A' ' 32' ' ' ILE . 2.9 p90 -160.24 157.55 28.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.715 0.293 . . . . 0.0 110.968 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -91.15 172.01 8.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -66.71 139.44 57.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 61.39 31.96 19.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.588 ' H ' ' HB3' ' A' ' 12' ' ' ALA . 1.2 m-20 -102.7 133.53 47.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.6 mm -90.15 131.43 37.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.74 HD11 ' CB ' ' A' ' 26' ' ' PHE . 23.2 mt -127.84 129.94 69.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.19 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.413 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 53.7 m -73.93 134.49 43.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.084 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 60.6 mt -94.22 114.37 30.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.2 mm -85.97 -60.7 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -139.15 145.96 40.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -98.78 78.88 2.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -44.64 -66.4 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -116.31 177.22 4.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.957 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -69.0 -42.52 76.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -92.71 -37.63 12.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.771 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.469 ' HG ' ' HZ3' ' A' ' 53' ' ' TRP . 85.0 m -94.39 120.98 35.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 52.7 m0 -118.71 160.8 21.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.6 t -114.82 113.77 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.413 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -113.98 -164.39 15.25 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -143.89 123.47 13.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.419 HD13 HG12 ' A' ' 32' ' ' ILE . 5.3 tp -153.92 150.0 27.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 53.15 28.39 6.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.76 28.74 70.32 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.0 mt -127.35 161.79 27.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.797 0.332 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.1 mtt180 -140.05 111.32 7.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.821 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -149.77 -167.48 14.22 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.425 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.528 ' CE2' ' HG2' ' A' ' 23' ' ' GLU . 16.7 p-90 -104.11 159.23 15.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.821 0.343 . . . . 0.0 110.858 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -166.0 152.46 8.61 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.666 0.746 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 115.71 4.21 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.756 2.304 . . . . 0.0 112.363 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.31 -35.93 76.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.052 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.27 -25.5 9.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -77.09 -27.83 54.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.493 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 4.8 m -113.76 169.54 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -122.61 129.76 52.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.823 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 62.0 t -65.55 148.63 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.103 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.2 p -66.76 167.94 10.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.876 0.369 . . . . 0.0 110.805 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -158.96 157.85 32.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.907 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.09 -131.61 1.53 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.476 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 t -91.83 135.64 33.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.93 0.395 . . . . 0.0 110.891 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -118.92 131.18 56.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.865 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.31 -149.52 17.1 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.407 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.2 mtm180 -111.58 169.7 8.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.917 0.389 . . . . 0.0 110.84 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.587 ' O ' HD12 ' A' ' 62' ' ' LEU . 20.2 mtm180 -149.03 128.38 12.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.12 138.1 49.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.2 ttpp -91.95 130.07 37.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.517 ' HB3' ' H ' ' A' ' 30' ' ' ASP . . . -72.83 131.13 41.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.1 mt -89.01 -22.39 23.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.695 HD11 ' CD2' ' A' ' 58' ' ' PHE . 4.4 pp -153.79 175.46 13.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.41 130.83 35.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -128.81 109.44 11.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.835 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -88.95 101.97 14.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.2 ptt85 -49.61 127.91 16.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -82.92 -43.49 16.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -109.22 149.01 30.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -49.54 -28.8 5.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -73.16 -31.54 64.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.759 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.451 ' HG2' ' NE1' ' A' ' 53' ' ' TRP . 24.5 mt-10 -71.98 138.48 48.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.6 tp -101.57 112.01 24.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.95 172.26 47.64 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.531 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -173.9 154.97 2.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.861 0.363 . . . . 0.0 110.86 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -91.27 162.26 14.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -61.76 129.89 43.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.783 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 73.29 34.23 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.517 ' H ' ' HB3' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -102.66 146.63 27.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 41.5 mm -98.25 126.28 51.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 mt -128.87 126.5 64.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.08 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 97.1 m -79.16 121.4 24.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.7 mt -77.48 117.34 22.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.187 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.4 mm -91.21 -63.92 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -131.18 111.28 11.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 38' ' ' LYS . 91.3 mt-30 -77.89 83.19 4.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 37' ' ' GLN . 12.3 tptm -35.12 -48.62 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.964 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.532 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 46.8 m-20 -162.69 178.38 8.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -68.56 -2.79 9.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.899 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -115.23 -46.28 2.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.78 122.88 48.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.532 ' CD1' ' O ' ' A' ' 39' ' ' ASP . 40.8 m0 -118.68 156.2 29.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.9 t -123.34 110.66 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.113 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.53 -170.13 16.59 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.502 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -127.97 133.15 49.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 110.89 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.0 tp -159.86 134.59 7.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 56.65 35.24 25.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.56 23.39 73.71 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.448 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.0 mt -120.61 159.24 25.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.803 0.335 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -141.12 110.84 6.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.809 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -149.34 169.86 29.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.516 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.451 ' NE1' ' HG2' ' A' ' 23' ' ' GLU . 6.2 p-90 -82.05 166.37 19.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.765 0.317 . . . . 0.0 110.937 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.421 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 8.5 p90 -174.99 152.5 1.5 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.593 0.711 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.492 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 53.5 Cg_endo -69.79 113.63 3.44 Favored 'Trans proline' 0 N--CA 1.466 -0.13 0 C-N-CA 122.651 2.234 . . . . 0.0 112.423 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.9 -36.58 59.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 58' ' ' PHE . 13.2 pttm -53.19 -37.07 61.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.695 ' CD2' HD11 ' A' ' 14' ' ' LEU . 9.7 m-85 -64.53 -27.23 68.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.3 m -117.52 -178.85 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -131.57 142.17 49.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.434 HG12 ' N ' ' A' ' 62' ' ' LEU . 25.2 t -75.17 155.3 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 9' ' ' ARG . 0.4 OUTLIER -140.63 116.59 10.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -119.19 78.76 1.32 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.905 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.432 ' C ' ' CD ' ' A' ' 64' ' ' GLU . 0.2 OUTLIER -101.91 162.93 12.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 -179.854 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -133.35 112.31 11.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 67' ' ' LYS . 1.9 t -110.93 171.91 7.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 66' ' ' SER . 7.8 ptmt 34.6 54.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.13 112.63 18.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -130.08 -58.41 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.6 m -44.18 -33.63 1.59 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 42.4 pt -110.89 139.05 36.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.185 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -173.13 164.34 4.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 39.7 m -101.58 159.93 14.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.793 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -146.03 -93.55 0.14 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.592 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 86.65 0.57 Allowed 'Trans proline' 0 C--O 1.23 0.121 0 C-N-CA 122.748 2.299 . . . . 0.0 112.349 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 94.5 p -106.89 111.35 23.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.821 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 92.0 p 45.07 42.35 6.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.465 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.216 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.1 p -102.01 150.0 23.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.855 0.359 . . . . 0.0 110.81 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.1 m -131.52 158.22 41.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.71 58.78 0.31 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.438 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.7 m -60.8 119.7 8.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.802 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.4 p -117.27 132.05 56.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.898 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.79 146.2 5.47 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 66.6 mtt180 -128.18 173.07 10.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.807 0.337 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.7 mtm180 -143.03 140.19 30.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.796 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.472 ' HB1' ' CG2' ' A' ' 59' ' ' VAL . . . -122.35 146.8 46.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -106.68 128.33 54.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.04 110.95 8.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.455 ' HB2' HD23 ' A' ' 14' ' ' LEU . 29.8 mt -69.94 -18.17 63.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.976 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.455 HD23 ' HB2' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -156.53 -175.43 5.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 179.878 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.0 143.78 29.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -136.81 126.09 24.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -108.47 104.12 13.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.41 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 6.2 ptt85 -54.59 119.18 4.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -71.99 -41.37 67.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -104.25 162.27 13.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.6 -36.19 79.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -67.94 -48.57 65.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.536 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 23.4 mt-10 -46.91 141.21 4.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.0 tp -96.65 117.2 30.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.97 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.97 147.32 18.6 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.429 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.611 ' CG ' HD11 ' A' ' 32' ' ' ILE . 4.3 p90 -149.3 174.66 12.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 0.0 110.881 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 53.3 mmt-85 -112.53 168.79 9.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.808 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -64.57 141.71 58.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.992 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 62.47 40.64 10.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -116.08 139.02 50.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.782 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 40.3 mm -92.54 121.9 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.611 HD11 ' CG ' ' A' ' 26' ' ' PHE . 15.3 mt -119.68 127.17 75.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.09 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.483 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 61.5 m -73.62 135.98 43.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.3 mt -94.45 116.55 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.8 mm -92.42 -61.63 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.224 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -133.3 176.42 8.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -133.19 80.59 1.89 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -52.05 -37.25 53.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -151.55 154.81 37.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -58.55 -32.79 69.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -88.17 -34.63 17.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 98.2 m -114.63 120.28 39.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.7 m0 -109.49 168.69 9.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.962 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.2 117.43 52.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -121.57 -170.52 13.91 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.459 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -136.3 123.34 21.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 110.877 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.6 tp -152.65 143.89 23.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 56.54 27.18 11.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.74 26.49 71.28 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.54 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.8 mt -126.95 151.05 49.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.744 0.307 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.3 mtm180 -128.73 105.53 8.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -143.61 176.54 22.94 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.476 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.536 ' CE2' ' HG2' ' A' ' 23' ' ' GLU . 32.0 p-90 -89.44 165.03 14.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 110.951 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 7.0 p90 -172.48 152.41 2.64 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.655 0.741 . . . . 0.0 110.881 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.413 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 53.8 Cg_endo -69.76 126.68 13.6 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.282 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.19 -29.28 67.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -58.97 -23.11 61.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.413 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 11.1 m-85 -78.46 -33.72 48.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.472 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 2.6 m -110.83 -179.1 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -134.04 129.79 36.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 62' ' ' LEU . 79.2 t -58.97 152.84 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.411 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -137.51 115.24 11.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -101.04 113.25 26.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -97.73 -46.81 5.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -88.49 94.98 10.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 67' ' ' LYS . 30.3 t -170.3 107.12 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 66' ' ' SER . 0.1 OUTLIER -36.34 104.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -140.27 151.48 45.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -116.3 98.43 6.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 98.1 p -85.76 -33.1 21.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.3 mt -59.3 -59.88 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.14 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.96 80.74 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.1 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.1 t -151.78 129.67 11.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -107.07 83.47 0.34 Allowed Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.527 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 76' ' ' SER . 53.8 Cg_endo -69.83 2.54 3.48 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.264 . . . . 0.0 112.322 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 75' ' ' PRO . 4.0 m 37.18 54.13 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.0 t -88.43 -54.12 4.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.553 -179.958 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.4 p -69.56 144.88 52.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.808 0.337 . . . . 0.0 110.882 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.7 m -80.23 128.58 33.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.3 -71.65 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.412 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -94.57 -56.52 2.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.858 0.361 . . . . 0.0 110.845 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.6 m -87.0 111.74 21.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.65 86.38 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.7 mtt-85 -126.99 162.36 26.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -142.23 129.82 21.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.948 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.727 ' HB2' HD11 ' A' ' 34' ' ' ILE . . . -117.44 148.45 41.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.092 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.603 ' HB2' HD11 ' A' ' 62' ' ' LEU . 3.2 tmmm? -101.19 125.45 47.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.59 112.97 5.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.9 mt -71.02 -25.59 62.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.657 HD11 ' CE2' ' A' ' 58' ' ' PHE . 1.0 OUTLIER -148.01 179.73 7.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.946 179.865 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.13 135.18 33.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -124.0 131.77 53.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 18' ' ' ARG . 7.5 pt-20 -106.75 87.75 2.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.475 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 32.4 ptt180 -34.48 133.1 0.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -71.99 -47.73 49.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -129.21 166.25 19.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -45.5 -37.5 5.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.02 -48.25 82.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.517 ' OE2' ' CZ2' ' A' ' 53' ' ' TRP . 5.0 mm-40 -58.92 148.48 30.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.0 tp -102.54 114.98 29.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.8 121.33 6.74 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.55 ' CB ' HD11 ' A' ' 32' ' ' ILE . 3.3 p90 -123.09 168.84 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.869 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -111.22 155.22 23.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -53.09 140.18 26.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 63.66 44.25 5.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.767 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -121.56 134.92 55.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 51.1 mm -90.42 121.95 41.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.55 HD11 ' CB ' ' A' ' 26' ' ' PHE . 18.6 mt -119.12 129.97 74.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.2 m -76.61 114.23 15.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.727 HD11 ' HB2' ' A' ' 10' ' ' ALA . 11.4 mt -75.67 110.05 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.16 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.574 HG21 ' CZ ' ' A' ' 51' ' ' ARG . 13.4 mm -80.76 -56.57 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -136.78 165.1 26.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.497 ' HG2' ' CD1' ' A' ' 43' ' ' TRP . 74.1 mt-30 -125.54 75.37 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 37' ' ' GLN . 12.9 mtpt -36.05 -42.01 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -164.53 175.94 9.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.17 -6.98 38.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.426 ' CD2' ' N ' ' A' ' 41' ' ' HIS . 3.3 m-70 -114.81 -29.82 6.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -116.51 116.86 28.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.497 ' CD1' ' HG2' ' A' ' 37' ' ' GLN . 33.3 m0 -114.1 159.86 19.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.413 HG23 ' HG3' ' A' ' 38' ' ' LYS . 49.3 t -126.27 119.95 55.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.098 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.15 -178.58 15.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.537 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -132.1 123.42 27.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.846 0.355 . . . . 0.0 110.869 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.3 tp -154.45 144.81 22.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.929 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 56.92 30.46 18.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.43 24.93 75.03 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.439 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.0 mt -123.37 162.27 23.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.858 0.361 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.574 ' CZ ' HG21 ' A' ' 35' ' ' ILE . 36.1 mtp180 -142.13 121.92 13.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -157.14 -167.01 17.63 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.553 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.517 ' CZ2' ' OE2' ' A' ' 23' ' ' GLU . 19.2 p-90 -106.25 163.76 12.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.712 0.291 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 4.5 p90 -173.74 152.58 2.04 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.693 0.758 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.56 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 55.0 Cg_endo -69.68 127.71 15.05 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.656 2.238 . . . . 0.0 112.404 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.24 -42.25 99.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.5 pttm -45.65 -32.7 2.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.813 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.657 ' CE2' HD11 ' A' ' 14' ' ' LEU . 10.8 m-85 -69.08 -35.14 76.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.1 m -111.91 -178.83 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -143.5 142.58 31.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.2 t -72.29 152.61 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.603 HD11 ' HB2' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -136.73 124.6 22.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 64' ' ' GLU . 9.2 p-10 -100.95 36.61 1.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 63' ' ' ASP . 16.7 mm-40 36.51 43.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -99.44 138.9 35.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.811 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 77.4 p -158.18 140.54 14.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.839 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 44.8 tttt -174.83 140.4 0.56 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -138.33 158.64 43.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -128.69 174.8 9.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -78.78 130.81 36.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.7 pt -64.21 137.45 24.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.14 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.99 100.56 11.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 24.3 p -80.56 167.36 20.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -133.73 -158.29 8.59 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.509 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.64 144.31 54.26 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.771 2.314 . . . . 0.0 112.301 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.2 t -87.03 99.63 12.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.5 t -50.01 -49.11 51.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.6 -179.882 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 m -56.99 171.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.85 0.357 . . . . 0.0 110.853 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -111.63 -54.2 2.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.89 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.05 -47.52 2.85 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.522 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.6 m -64.13 149.3 48.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.93 0.395 . . . . 0.0 110.846 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 t -120.51 144.8 47.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.2 91.1 0.11 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.455 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -126.66 175.9 7.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.834 0.349 . . . . 0.0 110.798 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.633 ' O ' HD12 ' A' ' 62' ' ' LEU . 45.5 mtt180 -146.83 129.05 15.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -111.69 144.9 40.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp -100.98 125.27 47.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.93 127.31 32.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.218 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.516 ' HB2' HD23 ' A' ' 14' ' ' LEU . 62.5 mt -83.29 -19.66 35.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.516 HD23 ' HB2' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -156.33 -176.15 5.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 179.844 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -85.84 105.37 16.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.571 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 72.3 t80 -93.39 104.26 16.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -84.05 106.25 15.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.7 ptt-85 -59.84 131.23 50.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.8 t-160 -83.39 -43.51 15.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -113.6 163.44 14.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -56.1 -42.89 77.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.7 -38.97 79.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.458 ' HG2' ' NE1' ' A' ' 53' ' ' TRP . 3.8 mm-40 -64.75 132.6 50.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.6 tp -89.63 112.68 23.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.06 150.28 20.87 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.403 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 16' ' ' PHE . 8.2 p90 -156.04 -176.91 6.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 84.9 mmt-85 -127.31 154.03 45.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.413 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 68.0 tttt -46.11 142.35 2.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.413 ' ND2' ' HG2' ' A' ' 28' ' ' LYS . 3.3 m120 63.34 47.52 3.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -122.92 138.81 54.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.496 ' O ' HD13 ' A' ' 47' ' ' LEU . 35.4 mm -99.19 124.0 52.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.072 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.428 HG12 HD22 ' A' ' 47' ' ' LEU . 17.3 mt -118.34 126.3 74.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.202 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 55.3 m -73.67 107.09 5.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.8 mt -66.23 120.62 13.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.125 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.3 mm -95.25 -57.02 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t -137.17 172.7 12.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.444 ' OE1' ' CG ' ' A' ' 43' ' ' TRP . 8.6 mm-40 -131.72 97.05 4.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.503 ' HG3' HG23 ' A' ' 44' ' ' VAL . 19.2 mtpp -62.97 -54.54 36.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -134.41 176.41 8.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -64.22 -6.52 6.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -129.01 -47.41 1.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.3 t -78.12 100.01 6.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.444 ' CG ' ' OE1' ' A' ' 37' ' ' GLN . 53.5 m0 -108.89 152.86 24.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.02 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.503 HG23 ' HG3' ' A' ' 38' ' ' LYS . 62.3 t -112.74 108.14 24.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.125 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.95 -176.38 19.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.464 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -128.88 124.47 35.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.843 0.354 . . . . 0.0 110.922 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.496 HD13 ' O ' ' A' ' 31' ' ' ILE . 12.2 tp -155.8 134.19 11.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 27.1 m120 62.68 32.88 15.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.1 19.2 73.68 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.511 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.5 mt -122.61 136.19 54.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.719 0.295 . . . . 0.0 110.949 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -121.39 109.15 14.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -149.22 -177.5 23.42 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.458 ' NE1' ' HG2' ' A' ' 23' ' ' GLU . 16.5 p-90 -89.76 167.58 12.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.905 0.383 . . . . 0.0 110.896 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.431 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 8.0 p90 -174.89 152.15 1.5 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.697 0.761 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 103.45 1.16 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.709 2.273 . . . . 0.0 112.354 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.47 -38.92 9.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.18 -38.82 19.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -63.62 -28.52 69.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.795 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.2 m -113.68 177.88 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -128.11 143.25 51.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 59.8 t -76.54 151.59 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.158 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.633 HD12 ' O ' ' A' ' 9' ' ' ARG . 0.6 OUTLIER -134.81 115.63 13.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -69.64 143.07 53.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -124.04 -39.68 2.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.433 ' O ' ' CG ' ' A' ' 65' ' ' ARG . 15.8 ptt180 -99.52 113.9 26.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.789 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.6 t -157.36 176.75 12.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.6 pptp? -67.12 162.54 22.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -94.81 130.04 41.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -77.57 100.42 6.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.901 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.2 m -75.3 174.76 9.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 31.8 pt -126.2 167.02 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.198 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 73' ' ' SER . . . -159.77 145.81 15.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 72' ' ' ALA . 45.6 t -35.05 127.24 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -170.91 164.82 37.99 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.429 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 76' ' ' SER . 54.7 Cg_endo -69.76 -0.12 6.45 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.665 2.243 . . . . 0.0 112.417 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 75' ' ' PRO . 17.2 m -35.53 133.43 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.6 p -53.41 -21.17 5.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.455 -179.97 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.5 m -111.01 -55.9 2.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.832 0.348 . . . . 0.0 110.867 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.1 m -64.91 161.44 18.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.23 131.6 2.71 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.551 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.7 p -125.96 171.06 11.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.89 0.376 . . . . 0.0 110.878 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.6 t -39.25 103.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.821 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.7 150.01 9.33 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.441 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.6 mtm180 -115.45 171.76 7.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.79 0.328 . . . . 0.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.4 mtt85 -150.76 134.22 16.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.503 ' HB1' ' CG2' ' A' ' 59' ' ' VAL . . . -114.43 143.33 45.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.409 ' HB3' HD21 ' A' ' 62' ' ' LEU . 25.2 ttpt -102.05 125.46 48.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.71 124.3 23.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.049 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.5 mt -84.37 -14.72 48.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.467 ' N ' HD23 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -158.53 -176.4 5.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.904 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.24 141.13 35.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -135.18 123.46 23.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -110.31 90.54 3.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.816 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.434 ' HB3' ' N ' ' A' ' 25' ' ' GLY . 0.3 OUTLIER -39.36 117.44 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -94.08 28.96 2.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -167.83 136.37 2.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -44.19 -32.89 1.37 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -79.96 -43.13 22.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.455 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 33.8 mt-10 -53.18 138.42 31.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.7 tp -96.39 116.86 29.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.949 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.434 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -91.26 160.25 26.87 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.457 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.441 ' CG ' HD11 ' A' ' 32' ' ' ILE . 10.5 p90 -167.73 175.78 6.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 0.0 110.901 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.428 ' C ' ' OD1' ' A' ' 30' ' ' ASP . 13.3 mmm180 -113.72 173.71 6.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -69.17 145.42 53.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.779 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 61.1 37.56 17.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.428 ' OD1' ' C ' ' A' ' 27' ' ' ARG . 3.5 m-20 -113.69 138.63 49.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.1 mm -93.5 128.39 44.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.51 HG12 HD13 ' A' ' 47' ' ' LEU . 18.9 mt -125.82 130.54 72.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.08 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.491 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 55.6 m -74.07 135.95 43.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.235 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.1 mt -96.1 117.14 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.4 mm -89.44 -57.55 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -141.63 173.48 11.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -129.25 84.11 2.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -55.88 -43.72 77.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.957 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -142.17 139.82 32.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -40.87 -39.04 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -87.28 -40.49 14.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 62.3 m -99.48 115.49 29.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.425 ' CD2' ' HB2' ' A' ' 56' ' ' ALA . 53.2 m0 -112.45 159.23 18.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 51.7 t -115.28 115.73 50.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -117.57 -162.31 12.44 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.426 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 33' ' ' THR . 5.4 tt0 -147.46 123.06 10.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 0.0 110.947 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.51 HD13 HG12 ' A' ' 32' ' ' ILE . 5.1 tp -149.83 147.84 28.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 46.75 35.65 3.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.82 31.81 79.35 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.434 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.3 mt -128.97 129.24 45.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.828 0.347 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -114.18 106.82 14.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -147.49 -168.88 14.36 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.402 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.455 ' CE2' ' HG2' ' A' ' 23' ' ' GLU . 17.1 p-90 -101.77 166.5 10.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.841 0.353 . . . . 0.0 110.898 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 6.9 p90 -174.53 151.97 1.63 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.581 0.705 . . . . 0.0 110.915 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 114.06 3.58 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.716 2.277 . . . . 0.0 112.33 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.425 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -57.13 -34.59 68.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.1 pttt -53.28 -32.0 46.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -69.1 -30.74 69.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.503 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 4.8 m -112.87 176.02 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -128.75 130.01 46.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.1 t -63.5 150.74 9.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.409 HD21 ' HB3' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -133.91 130.86 38.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -119.89 94.15 4.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -101.89 163.71 12.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.926 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.8 mmt-85 57.67 40.29 26.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.0 t -72.84 -60.04 2.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -115.1 149.99 36.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -121.55 151.94 39.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.841 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -120.94 115.42 23.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.982 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 31.2 p -66.1 129.3 39.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.791 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 18.3 mt -132.12 134.95 59.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.138 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -119.58 165.82 13.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.5 t -104.26 96.76 6.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.956 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 142.56 -80.34 0.25 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.429 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 89.03 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.632 2.221 . . . . 0.0 112.369 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 89.9 p -84.58 176.58 8.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.787 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 78' ' ' GLY . 26.3 t -82.01 158.54 23.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.875 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 77' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.422 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 m -104.55 102.32 11.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 110.832 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.5 p -76.71 -55.38 5.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.06 57.34 5.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.565 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -141.46 119.0 11.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.939 0.4 . . . . 0.0 110.874 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.9 p -83.0 111.45 18.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.803 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.69 136.35 27.61 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.477 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.526 ' NE ' ' CG1' ' A' ' 61' ' ' VAL . 17.2 ttt180 -128.31 170.69 12.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.819 0.343 . . . . 0.0 110.916 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.2 mtt-85 -142.23 133.17 25.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.449 ' HB2' HD11 ' A' ' 34' ' ' ILE . . . -115.58 143.31 45.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -99.66 132.2 45.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.98 105.97 7.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.7 mt -65.85 -18.48 65.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -156.83 171.35 20.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -81.34 135.45 35.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -123.59 137.17 54.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -107.5 100.87 10.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.416 ' HB3' ' N ' ' A' ' 25' ' ' GLY . 16.5 ptt85 -60.08 127.72 33.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.91 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -84.94 -58.79 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.866 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -94.25 159.46 15.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.58 -36.98 67.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -63.49 -28.05 69.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.401 ' CD ' ' CZ2' ' A' ' 53' ' ' TRP . 4.3 mm-40 -75.6 132.62 40.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 36.9 tp -97.68 107.94 20.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.416 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -81.44 157.86 38.91 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.427 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -159.32 179.71 8.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.875 0.369 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -119.66 168.97 10.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -65.6 139.03 58.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 63.48 39.2 9.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -114.44 134.58 54.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.3 mm -87.7 127.82 40.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.096 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.412 HG12 HD22 ' A' ' 47' ' ' LEU . 27.1 mt -124.08 124.97 70.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.18 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.489 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 98.6 m -71.38 132.61 45.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.449 HD11 ' HB2' ' A' ' 10' ' ' ALA . 17.9 mt -95.82 112.39 28.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.1 mm -86.52 -63.32 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.176 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -131.59 162.7 29.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -126.84 84.62 2.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -51.82 -52.65 47.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 41' ' ' HIS . 0.2 OUTLIER -136.7 140.18 42.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.855 179.885 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -38.54 -27.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.475 ' N ' ' O ' ' A' ' 39' ' ' ASP . 11.7 m-70 -93.52 -60.48 1.76 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 90.4 m -84.33 112.47 20.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.812 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.6 m0 -111.19 161.33 16.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.1 t -118.33 117.03 53.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.489 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -120.1 -163.55 12.23 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.501 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -141.25 123.7 15.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.876 0.369 . . . . 0.0 110.952 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.412 HD22 HG12 ' A' ' 32' ' ' ILE . 10.3 tp -153.22 145.56 23.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.951 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 55.61 29.06 12.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.06 23.88 77.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.456 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.2 mt -121.27 163.77 18.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.751 0.31 . . . . 0.0 110.939 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.4 mtm180 -142.32 112.06 6.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -153.87 -170.64 20.1 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.444 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.401 ' CZ2' ' CD ' ' A' ' 23' ' ' GLU . 19.1 p-90 -96.93 163.79 12.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -171.53 151.55 2.97 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.68 0.752 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.94 119.78 6.66 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.628 2.219 . . . . 0.0 112.408 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.64 -35.94 81.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.038 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.14 -28.27 10.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.972 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -74.22 -33.7 63.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.811 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.8 m -108.73 177.68 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.111 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -133.61 129.73 37.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.526 ' CG1' ' NE ' ' A' ' 8' ' ' ARG . 42.6 t -63.74 150.48 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.186 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.49 113.59 11.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -94.99 90.99 6.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.955 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -45.95 149.59 0.65 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -132.08 48.25 2.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 82.6 p -51.67 119.54 4.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.2 tttt -74.66 142.89 44.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -128.23 143.56 51.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -81.5 78.07 8.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.6 m -66.05 167.22 10.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.635 ' N ' HD13 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -113.81 55.91 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.095 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 54.71 46.32 24.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.012 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 87.3 p -105.72 90.11 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.801 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.81 -167.41 52.55 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.4 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 88.72 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.664 2.243 . . . . 0.0 112.41 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 94.4 p -128.51 150.99 49.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.836 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 t 53.89 50.57 16.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.538 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.408 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 m -122.62 169.06 11.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.922 0.391 . . . . 0.0 110.815 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.5 t -103.29 -62.1 1.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.89 170.57 14.72 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 t -73.8 140.05 45.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.897 0.38 . . . . 0.0 110.843 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.9 m -91.82 90.45 7.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.77 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.01 120.47 0.88 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.437 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 62.8 mtt-85 -124.15 169.35 11.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.86 0.362 . . . . 0.0 110.807 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -143.79 145.91 32.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -127.9 147.6 50.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.104 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.409 ' C ' ' HD2' ' A' ' 11' ' ' LYS . 4.5 tmmm? -100.67 127.48 47.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.73 103.28 2.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.5 HD21 ' CB ' ' A' ' 60' ' ' GLU . 13.0 mt -63.82 -22.08 66.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -152.01 172.35 16.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.965 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.31 147.08 34.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -135.6 130.51 34.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -106.95 92.98 4.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.441 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 8.4 ptt180 -44.09 120.05 1.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -95.83 26.4 4.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -164.09 141.79 7.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.804 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -49.41 -31.8 10.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -81.18 -43.32 19.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.419 ' CD ' ' CZ2' ' A' ' 53' ' ' TRP . 4.1 mm-40 -49.08 137.98 12.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.1 tp -96.36 111.39 23.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.58 150.52 22.56 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.453 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.429 ' CB ' HD11 ' A' ' 32' ' ' ILE . 2.3 p90 -150.11 -177.5 5.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.831 0.348 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -127.52 168.02 15.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -60.0 139.35 57.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 62.13 44.1 8.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -119.71 134.29 55.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.805 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.9 mm -92.47 128.56 43.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.429 HD11 ' CB ' ' A' ' 26' ' ' PHE . 17.8 mt -124.61 126.05 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.058 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.486 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 94.4 m -71.84 136.26 46.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.125 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 59.1 mt -96.79 113.18 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.1 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.5 mm -87.25 -63.52 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.119 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -132.57 161.52 33.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -118.69 81.4 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.8 mtmt -47.53 -49.06 27.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -133.8 -175.77 3.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.855 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -78.27 -36.53 46.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -95.17 -35.49 11.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.2 m -97.38 116.62 29.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.7 m0 -115.37 155.6 27.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 52' ' ' GLY . 84.4 t -113.6 121.63 66.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.486 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -129.58 -169.35 12.52 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.408 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -129.78 138.13 50.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.918 0.39 . . . . 0.0 110.82 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.9 tp -166.62 148.55 6.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 47.02 36.61 4.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.84 29.5 75.19 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.536 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.0 mt -128.68 158.28 38.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.845 0.355 . . . . 0.0 110.844 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.8 mtm105 -141.8 110.86 6.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.458 ' O ' HG13 ' A' ' 44' ' ' VAL . . . -154.08 -167.47 16.23 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.419 ' CZ2' ' CD ' ' A' ' 23' ' ' GLU . 12.4 p-90 -96.84 165.71 11.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.803 0.335 . . . . 0.0 110.927 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -172.36 152.54 2.74 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.712 0.768 . . . . 0.0 110.813 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 109.64 2.35 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.679 2.253 . . . . 0.0 112.35 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.83 -35.47 61.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.177 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.62 -34.01 49.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -67.03 -26.99 67.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.0 m -115.62 171.37 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.195 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.5 ' CB ' HD21 ' A' ' 13' ' ' LEU . 20.2 tp10 -126.24 136.08 52.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.515 ' O ' HD23 ' A' ' 62' ' ' LEU . 91.5 t -66.86 158.08 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.036 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.515 HD23 ' O ' ' A' ' 61' ' ' VAL . 0.6 OUTLIER -143.95 122.13 12.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -88.65 31.33 0.84 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 42.67 36.94 0.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.06 -177.95 3.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.3 m 56.94 43.79 24.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -107.69 123.41 48.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.54 ' HG3' ' CE1' ' A' ' 69' ' ' TYR . 9.1 pt-20 -78.63 46.69 0.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.54 ' CE1' ' HG3' ' A' ' 68' ' ' GLU . 5.6 m-85 -137.95 153.01 49.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.6 m -121.19 142.35 49.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 60.2 mt -116.03 115.37 48.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.151 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.74 129.26 55.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.4 m -117.38 153.85 32.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.85 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 175.19 -94.3 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -40.24 5.5 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.752 2.302 . . . . 0.0 112.314 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.3 t -48.67 -54.62 14.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.792 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.1 m -135.69 130.5 34.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.519 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.396 -0.282 . . . . 0.0 112.396 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t 74.4 50.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 0.0 110.892 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -95.23 80.01 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.53 -54.86 25.44 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.497 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.1 p -163.39 163.69 24.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.904 0.383 . . . . 0.0 110.773 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -70.92 -55.33 8.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.842 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.74 157.08 42.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.456 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -133.61 171.15 14.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 0.0 110.899 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.9 mtm-85 -142.24 136.58 29.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -120.08 146.1 46.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.051 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -98.82 131.38 44.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.09 119.32 19.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.553 HD21 ' HB2' ' A' ' 60' ' ' GLU . 9.7 mt -77.8 -18.63 56.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -158.11 175.39 13.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.913 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.22 133.6 33.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -116.34 130.61 56.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -100.14 101.92 13.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 ptt-85 -70.5 127.73 33.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.573 ' CE1' ' CD ' ' A' ' 23' ' ' GLU . 16.6 p-80 -89.12 -38.47 14.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -106.37 145.2 32.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -46.16 -45.09 16.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.23 -48.02 74.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.573 ' CD ' ' CE1' ' A' ' 19' ' ' HIS . 13.1 mt-10 -55.48 118.7 4.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.5 tp -82.56 110.8 17.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.11 167.67 38.09 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -167.12 -177.31 3.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.836 0.351 . . . . 0.0 110.912 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -122.2 164.54 17.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -61.71 141.1 58.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 61.9 47.81 5.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -123.92 144.41 49.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.9 mm -96.13 129.28 46.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.192 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.5 mt -126.25 132.77 70.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.478 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 77.2 m -79.73 138.64 37.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.1 mt -98.11 112.77 30.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.3 mm -85.96 -64.58 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.074 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -131.12 164.73 24.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -133.45 102.58 5.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.924 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.467 ' N ' ' HE2' ' A' ' 38' ' ' LYS . 1.0 OUTLIER -74.09 -58.23 3.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -117.53 167.91 10.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -61.86 -31.49 71.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -99.34 -48.52 4.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.427 ' HG ' ' HZ3' ' A' ' 53' ' ' TRP . 73.9 m -79.92 110.98 15.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.7 m0 -117.4 163.84 15.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 52' ' ' GLY . 99.5 t -120.17 120.64 63.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.478 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -124.01 -171.98 13.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.495 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -135.88 123.14 21.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.926 0.393 . . . . 0.0 110.862 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.7 tp -152.72 152.29 31.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 48.42 31.13 2.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.8 29.15 72.65 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.466 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.7 mt -126.75 158.98 35.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.885 0.374 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 -138.24 118.48 13.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.407 ' O ' HG13 ' A' ' 44' ' ' VAL . . . -161.92 -166.15 20.15 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.448 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.427 ' HZ3' ' HG ' ' A' ' 42' ' ' CYS . 7.4 p-90 -102.78 163.86 11.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.847 0.356 . . . . 0.0 110.92 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -167.26 150.46 5.99 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.655 0.741 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.77 108.64 2.13 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.665 2.243 . . . . 0.0 112.316 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.8 -28.45 56.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.194 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.6 pttt -57.21 -24.12 52.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -78.01 -32.48 51.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.6 m -109.59 171.29 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.553 ' HB2' HD21 ' A' ' 13' ' ' LEU . 23.7 tt0 -125.48 134.31 52.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.82 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.9 t -68.22 150.96 10.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.31 121.65 29.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 64' ' ' GLU . 1.8 m-20 -91.86 34.83 0.98 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.81 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 63' ' ' ASP . 4.7 mm-40 36.8 40.88 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.842 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.5 ttm-85 -104.39 108.48 19.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 t -158.93 167.49 29.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.809 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.453 ' HG2' ' N ' ' A' ' 68' ' ' GLU . 20.8 tttp -137.09 158.6 44.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.453 ' N ' ' HG2' ' A' ' 67' ' ' LYS . 36.0 tt0 -118.62 130.04 55.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -94.3 138.81 31.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.967 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 94.6 p -59.26 142.91 50.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.818 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 42.7 mt -56.76 141.78 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.163 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -90.98 148.79 22.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.094 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.4 t -52.45 127.07 21.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.844 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 148.76 -163.45 29.05 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.469 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 120.88 7.59 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.645 2.23 . . . . 0.0 112.401 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.0 p -39.6 122.05 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.792 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 90.3 p -157.33 135.31 10.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.767 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m 61.72 42.0 11.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.938 0.399 . . . . 0.0 110.878 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.7 m -123.4 107.33 11.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.881 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.57 101.77 0.19 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.5 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.0 m -134.08 147.93 50.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.322 . . . . 0.0 110.888 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.2 m -98.09 43.57 1.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.29 122.62 6.01 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.4 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.8 mtt-85 -126.57 166.42 17.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.425 ' O ' HD12 ' A' ' 62' ' ' LEU . 24.7 mtt180 -145.97 132.94 20.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.838 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.449 ' HB2' HD11 ' A' ' 34' ' ' ILE . . . -114.03 141.23 47.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' C ' ' HD2' ' A' ' 11' ' ' LYS . 4.2 tmmm? -98.67 131.89 44.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.97 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.671 ' HB3' ' H ' ' A' ' 30' ' ' ASP . . . -73.71 131.47 41.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.484 ' HB2' HD23 ' A' ' 14' ' ' LEU . 66.6 mt -87.58 -28.9 21.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.484 HD23 ' HB2' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -146.64 -175.53 4.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.424 ' CG ' ' O ' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -84.55 118.04 24.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.874 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -111.4 105.16 13.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -89.28 107.89 19.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.459 ' HB3' ' N ' ' A' ' 25' ' ' GLY . 18.0 ptt-85 -62.02 123.97 19.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.1 p-80 -85.88 -31.55 22.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -114.51 151.2 33.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -51.1 -40.58 58.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.39 -45.83 91.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.476 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 9.8 mt-10 -57.09 138.6 54.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.0 tp -101.01 108.14 19.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.459 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -82.67 158.75 37.54 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.473 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.46 ' CG ' HD11 ' A' ' 32' ' ' ILE . 8.6 p90 -165.2 160.24 18.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.858 0.361 . . . . 0.0 110.898 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -92.12 174.73 7.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -68.37 140.9 55.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 59.81 37.97 21.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.671 ' H ' ' HB3' ' A' ' 12' ' ' ALA . 1.0 OUTLIER -106.12 129.84 54.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.9 mm -82.99 131.84 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.46 HD11 ' CG ' ' A' ' 26' ' ' PHE . 14.6 mt -130.65 130.35 64.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.457 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 67.7 m -74.88 135.0 41.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.449 HD11 ' HB2' ' A' ' 10' ' ' ALA . 66.7 mt -95.71 112.44 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.6 mm -87.88 -63.44 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.188 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -135.3 161.59 34.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -118.21 124.84 48.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.3 mttm -90.47 -63.45 1.27 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -128.2 176.23 7.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.788 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -62.96 -38.9 92.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -106.59 20.6 18.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 79.5 m -147.92 108.23 4.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.1 m0 -119.51 156.67 29.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 93.6 t -112.17 119.69 60.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.457 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -124.55 -167.17 12.6 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -137.23 126.41 24.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.85 0.357 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.3 tp -155.85 150.14 25.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 49.64 29.88 3.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.32 32.54 68.46 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.503 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.7 mt -130.28 164.35 24.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.707 0.289 . . . . 0.0 111.041 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 -142.33 107.9 5.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -150.21 -174.94 21.86 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.476 ' CE2' ' HG2' ' A' ' 23' ' ' GLU . 12.7 p-90 -92.94 168.86 10.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -174.49 152.18 1.67 Allowed Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 121.684 0.754 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 114.93 3.85 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.773 2.316 . . . . 0.0 112.362 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.74 -41.71 67.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.165 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.52 -39.49 34.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -62.15 -26.85 68.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.0 m -116.18 176.37 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.157 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -130.76 131.78 44.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.6 t -69.73 150.17 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.181 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.425 HD12 ' O ' ' A' ' 9' ' ' ARG . 0.4 OUTLIER -130.22 145.32 51.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -115.97 130.02 56.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.1 mp0 -118.44 -48.07 2.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -41.78 -53.33 3.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.2 t -60.06 -49.58 77.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.6 tttt 61.15 42.0 12.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -59.97 117.41 5.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -67.31 89.18 0.2 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.835 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.5 m -60.86 160.75 9.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 7.9 pt -76.78 169.55 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -162.17 143.52 10.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.058 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.1 m -42.15 126.69 3.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -77.85 -86.35 0.46 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 149.86 67.41 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.31 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.9 t -111.05 145.47 38.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.4 m -121.37 -60.04 1.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.438 -179.932 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -122.37 151.11 41.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.847 0.356 . . . . 0.0 110.852 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.4 m -105.84 123.12 47.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.14 -50.55 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.395 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -121.26 152.81 38.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.882 0.372 . . . . 0.0 110.865 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -78.76 134.78 37.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.96 127.77 6.44 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.521 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 34.5 mtt180 -120.18 170.77 9.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.788 0.327 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.9 mtt180 -148.74 133.56 17.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -115.69 164.72 13.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.5 ttpp -117.03 134.89 54.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.814 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.456 ' HA ' HG12 ' A' ' 59' ' ' VAL . . . -80.43 119.45 23.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.015 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.416 HD21 ' HB2' ' A' ' 60' ' ' GLU . 5.8 mt -81.05 -9.68 59.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.965 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -162.31 -179.85 7.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.83 142.84 29.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.944 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -137.25 115.85 12.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -92.29 105.2 17.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.481 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 24.9 ptt-85 -50.89 108.79 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.905 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -59.79 -59.21 5.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -89.2 142.68 27.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -44.97 -32.25 1.57 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.792 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -73.07 -46.12 53.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.77 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -44.15 154.19 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.974 0.416 . . . . 0.0 110.83 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.2 tp -107.29 117.37 33.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.419 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -98.8 138.86 14.12 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.437 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.671 ' CG ' HD11 ' A' ' 32' ' ' ILE . 0.8 OUTLIER -134.28 -178.2 4.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 0.0 110.905 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -123.39 166.69 14.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -61.53 135.77 57.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 63.57 43.24 5.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -118.84 147.22 44.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.956 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.422 ' O ' HD13 ' A' ' 47' ' ' LEU . 32.3 mm -97.74 130.71 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.119 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.671 HD11 ' CG ' ' A' ' 26' ' ' PHE . 22.2 mt -126.75 126.29 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.069 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.49 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 93.6 m -70.06 138.97 52.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.6 mt -101.48 110.7 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.144 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.9 mm -87.63 -64.57 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t -127.23 173.4 9.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -132.43 79.42 1.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -44.95 -66.12 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -125.49 156.89 38.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -52.54 -16.71 0.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 -108.23 -50.1 3.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 71.2 m -88.74 117.21 27.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.6 m0 -116.01 154.42 29.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.5 t -113.51 119.57 61.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -125.55 -169.56 12.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.534 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -131.62 132.65 44.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.877 0.37 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.613 HD22 HG12 ' A' ' 32' ' ' ILE . 12.7 tp -167.26 149.06 5.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.3 m120 55.24 25.55 7.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.54 19.84 79.75 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.0 mt -122.42 158.3 30.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.756 0.313 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -136.55 107.45 6.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.58 -169.62 15.59 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.515 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 17.2 p-90 -98.89 162.42 13.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.789 0.328 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -166.36 152.89 8.42 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.667 0.746 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 122.0 8.7 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.381 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.86 -27.98 67.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -63.85 -9.16 13.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -93.19 -23.83 18.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.456 HG12 ' HA ' ' A' ' 12' ' ' ALA . 4.9 m -120.39 172.82 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.109 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.416 ' HB2' HD21 ' A' ' 13' ' ' LEU . 12.0 tp10 -127.8 130.78 49.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.8 t -68.36 150.45 10.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.48 118.54 26.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -96.15 84.25 3.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -71.36 85.32 0.81 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -116.12 129.2 56.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.8 t -130.84 124.14 30.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.4 ' NZ ' ' HB3' ' A' ' 67' ' ' LYS . 0.5 OUTLIER -150.97 -179.59 7.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -117.98 150.35 39.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -93.76 135.76 34.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.5 t -45.45 164.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.9 mm -47.48 95.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.055 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -103.01 161.23 13.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.171 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.3 t -41.89 -46.07 3.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 160.1 83.46 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.5 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 106.33 1.64 Allowed 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.679 2.253 . . . . 0.0 112.332 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 72.9 m -129.18 168.41 16.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.828 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.5 t -115.86 134.11 55.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.565 179.943 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 m -52.99 -54.33 36.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.935 0.398 . . . . 0.0 110.919 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -57.69 158.72 5.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.61 50.62 0.42 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.481 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.2 p -49.29 169.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 110.897 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.9 m -110.93 117.52 33.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.73 126.35 6.46 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 82.5 mtt-85 -128.2 173.04 10.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.768 0.318 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.547 ' O ' HD12 ' A' ' 62' ' ' LEU . 67.0 mtt180 -144.95 129.88 18.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.826 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.511 ' HB1' ' CG2' ' A' ' 59' ' ' VAL . . . -109.02 141.48 41.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -99.48 125.85 45.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.466 ' HB3' ' H ' ' A' ' 30' ' ' ASP . . . -68.75 119.95 13.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.051 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.508 ' HB2' HD23 ' A' ' 14' ' ' LEU . 22.7 mt -78.62 -14.2 59.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.508 HD23 ' HB2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -157.51 179.36 9.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -86.21 103.53 14.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.547 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 25.7 t80 -88.48 124.89 34.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -102.05 100.32 10.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.419 ' HB3' ' N ' ' A' ' 25' ' ' GLY . 9.8 ptt85 -54.18 128.14 29.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -79.69 -44.89 19.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -121.07 158.45 27.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -46.32 -42.24 14.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -55.59 -46.92 77.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.778 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.555 ' OE2' ' CH2' ' A' ' 53' ' ' TRP . 4.2 mm-40 -61.47 137.74 58.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.4 tp -94.84 106.16 18.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.969 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.419 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -81.75 142.35 22.55 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.536 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.547 ' CE1' ' HB2' ' A' ' 16' ' ' PHE . 7.0 p90 -150.95 161.41 42.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.884 0.373 . . . . 0.0 110.868 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.457 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -97.86 -177.25 3.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -70.79 142.89 51.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 55.46 40.29 31.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.466 ' H ' ' HB3' ' A' ' 12' ' ' ALA . 1.0 OUTLIER -107.19 123.43 48.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.494 ' O ' ' CD1' ' A' ' 47' ' ' LEU . 34.4 mm -77.03 134.63 28.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.179 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.5 HG12 HD13 ' A' ' 47' ' ' LEU . 17.8 mt -134.65 128.09 50.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.177 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.492 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 89.0 m -74.61 136.94 42.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.18 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 48.7 mt -96.67 112.6 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 18.8 mm -87.51 -65.04 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.154 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -131.29 163.44 27.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.819 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -118.43 80.72 1.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.896 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -49.15 -52.85 23.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.977 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -130.91 167.28 19.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -63.5 -36.38 83.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.793 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -95.28 -35.19 11.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 78.6 m -96.82 121.7 38.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.6 m0 -119.23 153.35 35.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.7 t -112.4 114.33 46.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.492 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -121.12 -168.73 13.58 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -134.37 131.13 37.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.873 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.5 HD13 HG12 ' A' ' 32' ' ' ILE . 8.1 tp -153.44 142.77 21.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 44.15 39.82 3.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.53 32.52 83.6 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.422 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 33.2 mt -128.4 131.76 48.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.847 0.356 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.5 mtm-85 -116.8 109.31 16.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.803 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -152.87 -175.55 24.46 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.451 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.555 ' CH2' ' OE2' ' A' ' 23' ' ' GLU . 23.4 p-90 -94.5 167.2 11.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.842 0.353 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.9 p90 -173.43 152.29 2.12 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.608 0.718 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 117.79 5.29 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.704 2.269 . . . . 0.0 112.375 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.95 -37.98 77.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -53.83 -36.06 62.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -63.48 -34.47 77.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.855 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.511 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 7.5 m -108.09 175.3 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.157 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -125.74 135.12 51.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 20.0 t -69.7 144.21 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.547 HD12 ' O ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -128.91 142.26 51.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.969 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.85 144.8 25.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -126.39 117.18 22.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.4 mmm-85 -117.1 151.27 37.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.0 t -172.06 168.59 5.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.808 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.405 ' C ' ' HD2' ' A' ' 67' ' ' LYS . 3.8 tmmm? -110.05 -61.84 1.6 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.837 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -39.28 121.98 1.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.966 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -80.63 129.57 34.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.91 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 75.4 p -82.78 171.6 13.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 15.7 pt -125.39 139.0 52.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.162 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -170.02 145.69 2.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.044 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.1 t -151.73 156.02 39.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -173.66 82.98 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.519 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 125.82 12.63 Favored 'Trans proline' 0 C--N 1.34 0.12 0 C-N-CA 122.679 2.253 . . . . 0.0 112.335 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.1 m -129.19 173.6 10.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 36.1 t -127.55 100.14 5.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.867 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.41 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.562 179.946 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t -98.94 135.38 40.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.838 0.351 . . . . 0.0 110.796 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m -137.71 109.61 7.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.6 110.75 0.95 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.489 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -80.91 107.1 13.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.351 . . . . 0.0 110.867 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.6 m 60.86 40.99 15.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.71 168.88 15.53 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.521 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.6 mtm-85 -110.19 170.07 8.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.353 . . . . 0.0 110.876 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.527 ' O ' HD12 ' A' ' 62' ' ' LEU . 73.9 mtt180 -150.91 130.02 12.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -111.11 159.18 18.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.6 ttpp -112.09 129.7 56.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.85 115.01 12.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.179 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.408 HD21 ' HB2' ' A' ' 60' ' ' GLU . 10.0 mt -74.52 -19.04 60.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -153.04 -177.02 6.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.991 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.97 138.89 31.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.784 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.421 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 57.2 t80 -133.71 118.28 17.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 18' ' ' ARG . 8.2 pt-20 -101.49 88.56 3.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' GLU . 17.1 ptt-85 -37.23 127.6 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -86.46 -40.53 15.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -98.6 169.39 9.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -69.47 -37.96 77.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -71.43 -36.86 71.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.816 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -56.59 139.7 49.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.4 tp -98.9 122.61 42.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.78 163.93 24.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.427 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.421 ' CE1' ' HB3' ' A' ' 16' ' ' PHE . 5.6 p90 -169.15 176.15 5.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.898 0.38 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -119.08 160.85 21.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.8 tttt -56.42 142.22 39.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 60.52 47.65 8.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.828 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -123.15 137.96 54.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 49.3 mm -90.76 130.79 39.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.095 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 17.8 mt -127.43 132.72 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.082 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 93.2 m -81.32 128.54 33.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.145 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.8 mt -87.01 120.84 37.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.183 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.0 mm -94.34 -61.99 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.069 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t -139.82 133.38 30.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -102.33 88.79 3.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -53.17 -69.3 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -107.43 172.46 6.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.964 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -63.4 -27.24 69.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -105.93 -47.48 3.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.1 m -80.16 110.14 15.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.47 ' CE3' ' HB2' ' A' ' 56' ' ' ALA . 54.7 m0 -118.21 161.03 20.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.945 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.7 t -120.28 115.33 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.031 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.75 -159.02 12.31 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.437 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -147.93 123.73 10.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.859 0.361 . . . . 0.0 110.914 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.459 HD23 HD22 ' A' ' 48' ' ' ASN . 4.9 tp -155.82 151.29 27.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.459 HD22 HD23 ' A' ' 47' ' ' LEU . 16.6 m-80 51.62 30.43 6.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.67 23.87 76.52 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.549 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.2 mt -122.27 157.37 31.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.775 0.321 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -138.13 109.42 6.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -151.79 -176.83 24.93 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.524 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 12.4 p-90 -91.73 164.22 13.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.829 0.347 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.408 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 9.5 p90 -171.39 150.5 2.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.75 0.786 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.481 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 53.6 Cg_endo -69.83 106.4 1.67 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.759 2.306 . . . . 0.0 112.259 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.47 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . . . -51.36 -34.91 36.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.162 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.96 -28.56 6.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.481 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 10.1 m-85 -72.04 -34.36 68.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.883 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.9 m -111.29 177.36 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.113 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.408 ' HB2' HD21 ' A' ' 13' ' ' LEU . 47.5 tp10 -129.14 138.33 51.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.487 HG12 ' N ' ' A' ' 62' ' ' LEU . 41.2 t -71.25 158.05 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.527 HD12 ' O ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -138.87 127.83 23.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.11 120.26 32.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -112.6 -35.99 5.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -12.22 48.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.816 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.1 t -55.65 -178.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.49 171.93 7.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -115.25 129.5 56.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -77.87 137.77 38.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.001 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.6 m -50.36 108.39 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.937 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 65.1 mt -144.79 129.01 12.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.15 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.15 92.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.6 t -102.31 116.92 33.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.35 -93.4 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.499 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 141.88 46.15 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.316 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.3 t -114.62 166.77 11.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.9 t 52.05 43.0 30.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.55 179.98 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.39 0 N-CA-C 112.539 -0.225 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -106.31 -52.91 2.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.952 0.406 . . . . 0.0 110.901 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -58.72 149.96 24.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.901 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.81 -134.92 7.22 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.455 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.7 p -120.0 43.05 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.955 0.407 . . . . 0.0 110.847 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 7' ' ' GLY . 9.6 m -68.24 81.28 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.794 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 36.17 -147.55 0.05 OUTLIER Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.412 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.402 ' HB3' HD12 ' A' ' 34' ' ' ILE . 23.1 ttt180 -126.48 179.29 5.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 110.836 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.493 ' O ' HD12 ' A' ' 62' ' ' LEU . 56.3 mtt180 -150.79 127.9 11.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.84 140.41 48.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.104 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -93.69 133.56 36.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.87 131.82 39.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.051 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.2 mt -91.75 -19.73 22.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -154.73 169.6 23.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.982 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.01 129.58 35.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -132.31 116.42 16.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -98.37 98.49 9.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.452 ' HB3' ' N ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -40.29 147.84 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.899 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -105.95 -52.47 2.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -85.33 153.74 22.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -53.63 -26.23 21.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.832 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -84.56 -44.06 13.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.842 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.529 ' CD ' ' CZ2' ' A' ' 53' ' ' TRP . 5.2 mm-40 -48.62 136.02 13.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.4 tp -101.41 124.85 47.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.452 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -98.76 160.83 20.27 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -161.9 177.77 9.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.802 0.334 . . . . 0.0 110.872 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -120.66 166.1 14.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.808 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.9 tttp -60.25 143.33 52.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.447 HD22 ' N ' ' A' ' 29' ' ' ASN . 0.9 OUTLIER 60.43 43.49 13.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.948 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -120.61 141.06 50.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.838 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.501 ' O ' HD13 ' A' ' 47' ' ' LEU . 8.9 mm -96.44 136.29 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.468 HG23 ' O ' ' A' ' 46' ' ' GLU . 14.3 mt -132.79 126.07 53.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.481 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 91.7 m -73.94 128.69 36.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.402 HD12 ' HB3' ' A' ' 8' ' ' ARG . 18.2 mt -89.51 117.72 33.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.155 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 18.9 mm -90.61 -64.15 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -135.73 113.86 11.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -82.18 88.36 6.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.5 tttt -41.41 -55.63 2.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.973 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.583 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -148.78 178.89 8.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.844 179.801 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -67.52 -3.65 9.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -117.51 -49.38 2.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.797 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -98.58 117.65 33.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.583 ' CD1' ' O ' ' A' ' 39' ' ' ASP . 53.9 m0 -118.53 152.26 36.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.5 t -117.42 108.2 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.188 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.481 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -118.69 -159.11 11.0 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.468 ' O ' HG23 ' A' ' 32' ' ' ILE . 8.2 tm-20 -144.07 142.64 30.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.925 0.393 . . . . 0.0 110.77 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 31' ' ' ILE . 14.6 tp -167.45 136.05 2.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 51.94 38.69 24.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.434 ' O ' HD23 ' A' ' 50' ' ' LEU . . . 65.17 34.52 89.86 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.504 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 49' ' ' GLY . 26.4 mt -133.56 126.48 31.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.898 0.38 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 51' ' ' ARG . 8.6 ttp-105 -117.7 121.99 42.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -166.27 -173.35 34.59 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.58 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.529 ' CZ2' ' CD ' ' A' ' 23' ' ' GLU . 10.3 p-90 -92.47 164.96 13.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.876 0.37 . . . . 0.0 110.897 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.5 p90 -173.2 152.69 2.29 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.68 0.752 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 110.78 2.66 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.636 2.224 . . . . 0.0 112.332 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.495 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -52.35 -41.77 63.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.117 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.4 ptmt -45.13 -41.74 8.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -59.12 -33.17 70.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.9 m -113.81 -179.01 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.048 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -135.19 136.52 41.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.504 HG12 ' N ' ' A' ' 62' ' ' LEU . 77.3 t -67.96 157.59 6.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.504 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.5 OUTLIER -141.66 126.43 18.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.91 32.64 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 41.84 40.69 1.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.922 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 39.11 49.97 1.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.7 t -119.98 80.27 1.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.431 ' HD2' ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -170.98 177.76 3.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -118.62 137.04 53.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -95.03 166.62 11.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.7 m -133.5 -33.65 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 14.6 pt -137.83 149.68 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.134 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -117.69 155.9 29.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.087 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 90.1 p -67.48 170.81 6.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -150.98 -92.68 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -14.83 36.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.742 2.295 . . . . 0.0 112.334 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.5 p 66.03 38.29 4.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.993 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.0 t -118.06 118.53 32.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.87 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.431 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.577 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.0 p -121.39 -57.65 1.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.859 0.361 . . . . 0.0 110.896 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t -49.34 109.28 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.92 -106.07 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.416 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -41.11 156.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.937 0.398 . . . . 0.0 110.843 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.2 p -98.8 -40.86 7.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.33 126.52 0.31 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.451 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.4 mtt85 -136.84 -177.15 4.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.797 0.332 . . . . 0.0 110.828 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.471 ' O ' HD12 ' A' ' 62' ' ' LEU . 36.8 mtm180 -150.13 136.45 18.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.604 ' HB2' HD11 ' A' ' 34' ' ' ILE . . . -112.79 146.61 38.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.104 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.87 126.74 52.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.32 114.61 10.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.54 HD11 ' OE1' ' A' ' 60' ' ' GLU . 36.1 mt -73.25 -18.71 61.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.506 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -154.01 -176.24 5.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.824 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.61 150.19 23.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -150.47 124.39 9.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -105.33 97.59 7.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.05 160.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.2 m80 -115.77 -53.27 2.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 22' ' ' ASP . 9.3 t70 -87.01 128.76 35.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.876 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -38.32 -26.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.956 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 20' ' ' ASP . 38.8 m-20 -74.57 -46.14 40.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.533 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 43.2 mt-10 -54.01 157.58 2.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 46.0 tp -119.32 116.72 26.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.09 172.62 32.34 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.531 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.519 ' CG ' HD11 ' A' ' 32' ' ' ILE . 4.9 p90 -170.57 174.38 5.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 0.0 110.98 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -114.86 169.88 8.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.802 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.6 tttt -59.1 141.99 52.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 59.77 47.03 10.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -118.33 126.01 51.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.5 mm -87.09 117.55 31.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.074 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.519 HD11 ' CG ' ' A' ' 26' ' ' PHE . 17.7 mt -116.06 127.03 73.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.2 m -72.3 123.22 22.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.604 HD11 ' HB2' ' A' ' 10' ' ' ALA . 27.5 mt -82.63 121.27 35.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.0 mm -94.99 -56.48 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -143.77 173.87 11.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -133.61 91.99 2.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -59.22 -41.82 89.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -141.66 147.34 37.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -48.16 -36.91 14.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 -89.03 -32.76 17.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 93.5 m -106.75 114.11 28.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.467 ' CD2' ' HB2' ' A' ' 56' ' ' ALA . 48.8 m0 -108.0 170.19 8.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' ' 52' ' ' GLY . 48.1 t -127.73 122.8 59.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.047 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -126.22 -160.17 10.51 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.527 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -146.18 123.71 11.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.504 HD13 HG12 ' A' ' 32' ' ' ILE . 5.6 tp -154.4 143.81 21.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 58.06 29.03 17.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.71 20.34 79.63 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.435 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.7 mt -121.25 150.68 41.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.802 0.334 . . . . 0.0 110.953 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -133.08 112.38 11.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.591 ' O ' HG13 ' A' ' 44' ' ' VAL . . . -151.48 -168.98 16.56 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.536 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.533 ' CE2' ' HG2' ' A' ' 23' ' ' GLU . 27.6 p-90 -97.11 165.21 12.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.776 0.322 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.425 ' C ' ' CD1' ' A' ' 54' ' ' PHE . 7.4 p90 -174.59 152.4 1.66 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.479 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 53.6 Cg_endo -69.68 118.19 5.53 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.761 2.308 . . . . 0.0 112.349 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.467 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -59.32 -30.3 68.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.086 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.23 -27.57 55.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.479 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 15.3 m-85 -78.56 -18.71 54.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.438 HG22 ' HA ' ' A' ' 56' ' ' ALA . 29.0 m -121.87 174.97 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.54 ' OE1' HD11 ' A' ' 13' ' ' LEU . 23.7 tp10 -128.15 135.63 50.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.429 HG22 ' CZ3' ' A' ' 43' ' ' TRP . 15.0 t -72.31 145.94 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 9' ' ' ARG . 0.4 OUTLIER -130.43 125.56 34.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 179.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -91.25 140.51 29.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -119.61 85.93 2.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.5 mmt-85 -85.28 141.94 29.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.6 t -174.03 116.23 0.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -148.81 158.25 44.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.454 ' C ' ' CD1' ' A' ' 69' ' ' TYR . 31.4 mm-40 -79.3 47.41 0.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 68' ' ' GLU . 9.3 m-85 -140.54 106.23 5.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 t -98.25 146.29 25.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.815 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.592 ' N ' HD13 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -39.35 146.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.067 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -118.25 146.31 44.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.035 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 54.9 p -50.61 138.64 17.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 150.16 -89.58 0.14 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.413 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -31.97 19.29 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.536 2.157 . . . . 0.0 112.368 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 88.2 p -91.91 122.35 34.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.5 p -172.0 142.63 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.776 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.45 -179.97 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -119.23 -50.74 2.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.92 0.39 . . . . 0.0 110.85 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.9 t -73.07 -45.92 54.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.795 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.44 159.16 15.42 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.454 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.1 p -135.17 126.68 28.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.841 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.5 p -86.73 135.67 33.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.742 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.55 158.04 25.37 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.522 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.61 ' HB3' HD12 ' A' ' 34' ' ' ILE . 20.3 ttt180 -135.98 172.36 13.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.79 0.329 . . . . 0.0 110.879 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -143.44 133.41 24.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.776 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -117.82 127.77 54.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.538 ' HB3' HD21 ' A' ' 62' ' ' LEU . 27.3 ttpt -86.32 125.95 33.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.837 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.493 ' HB3' ' H ' ' A' ' 30' ' ' ASP . . . -67.13 132.97 48.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.425 ' HB2' HD23 ' A' ' 14' ' ' LEU . 42.8 mt -85.93 -26.54 25.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.425 HD23 ' HB2' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -149.22 -176.33 5.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.954 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.42 ' O ' ' CG ' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -80.57 118.76 22.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.825 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.586 ' CB ' ' CE1' ' A' ' 26' ' ' PHE . 68.0 t80 -109.68 111.36 22.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.795 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -93.84 106.29 18.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.456 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 9.8 ptt180 -56.62 120.97 8.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -76.17 -53.31 8.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 21' ' ' ASP . 1.3 m-20 -97.29 142.39 29.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' ASP . 8.9 t70 -38.39 -41.11 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -63.15 -48.33 78.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.456 ' CB ' ' HB2' ' A' ' 18' ' ' ARG . 21.0 mt-10 -44.86 137.79 3.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 47.6 tp -100.12 106.68 18.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.424 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -79.78 169.15 53.05 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.46 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.586 ' CE1' ' CB ' ' A' ' 16' ' ' PHE . 8.3 p90 -173.04 161.13 4.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.895 0.378 . . . . 0.0 110.808 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -92.96 174.98 6.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.892 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.2 tttt -68.97 139.47 55.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 56.34 44.12 25.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.493 ' H ' ' HB3' ' A' ' 12' ' ' ALA . 1.5 m-20 -108.72 141.36 40.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 51.3 mm -87.45 129.28 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.473 HG12 HD13 ' A' ' 47' ' ' LEU . 17.8 mt -130.8 132.74 63.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.079 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.492 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 52.2 m -78.45 137.38 37.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.61 HD12 ' HB3' ' A' ' 8' ' ' ARG . 67.2 mt -97.94 110.77 26.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.8 mm -84.38 -61.84 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -140.46 158.49 43.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -109.63 132.87 53.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.485 ' HG3' HG23 ' A' ' 44' ' ' VAL . 38.6 mttm -99.63 -66.06 0.93 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -126.12 174.01 8.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.829 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -54.72 -49.63 70.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -103.64 27.78 7.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.782 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 43.1 m -146.55 105.62 3.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.8 m0 -118.09 154.03 32.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.919 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' ' 52' ' ' GLY . 73.5 t -110.76 115.11 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.492 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -120.05 -170.31 14.31 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.514 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -134.59 123.0 23.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.829 0.347 . . . . 0.0 110.917 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.489 HD23 HD22 ' A' ' 48' ' ' ASN . 5.2 tp -153.15 154.8 35.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.489 HD22 HD23 ' A' ' 47' ' ' LEU . 19.8 m-80 46.84 34.08 2.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.77 33.43 85.89 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.39 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 44.5 mt -129.13 163.16 26.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.813 0.339 . . . . 0.0 110.962 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.7 ttp85 -143.14 106.55 4.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.83 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.597 ' O ' HG13 ' A' ' 44' ' ' VAL . . . -152.78 -165.36 13.27 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.441 ' NE1' ' HG2' ' A' ' 23' ' ' GLU . 5.7 p-90 -100.58 167.47 10.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.8 0.333 . . . . 0.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -171.25 150.92 2.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.635 0.731 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.401 ' HD2' ' CZ ' ' A' ' 16' ' ' PHE . 53.8 Cg_endo -69.73 110.43 2.55 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.04 -32.71 48.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.051 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 58' ' ' PHE . 2.5 ptmt -56.0 -30.75 62.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.953 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.458 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 9.8 m-85 -72.8 -26.6 61.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.7 m -114.78 174.54 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -130.17 129.87 44.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.584 ' O ' HD23 ' A' ' 62' ' ' LEU . 90.1 t -57.81 157.95 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' ' 61' ' ' VAL . 1.1 mt -144.25 135.56 25.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.95 100.17 8.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -57.73 -43.18 85.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.5 -56.25 7.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.6 m -50.61 97.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.812 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.36 89.14 3.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -116.33 161.43 19.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -99.43 109.72 22.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -129.06 83.82 2.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 50.0 mm -124.7 141.4 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -124.55 -45.81 1.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 t -126.48 83.57 2.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -169.06 159.59 32.69 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.54 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.67 2.19 3.7 Favored 'Trans proline' 0 C--O 1.23 0.114 0 C-N-CA 122.753 2.302 . . . . 0.0 112.37 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 67.5 m -98.01 97.55 9.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.9 m -87.72 -47.17 8.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.407 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.42 -179.952 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -76.76 162.96 27.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 t 51.07 41.99 28.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.97 -126.79 1.89 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.595 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 m -84.85 -51.52 6.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.349 . . . . 0.0 110.923 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -77.18 136.51 38.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.791 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.79 131.8 3.51 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.421 ' HB3' HD12 ' A' ' 34' ' ' ILE . 30.2 mtm-85 -108.12 162.7 13.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.838 0.351 . . . . 0.0 110.88 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.9 mtm180 -147.54 130.55 16.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -113.23 142.4 45.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.7 ttpp -95.02 125.66 39.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.422 ' HB2' ' CD2' ' A' ' 26' ' ' PHE . . . -69.41 135.2 49.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.097 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.0 mt -85.23 -27.28 26.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.581 HD11 ' CD2' ' A' ' 58' ' ' PHE . 3.7 pp -147.05 -175.51 4.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.452 ' CG ' ' O ' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -89.02 115.88 26.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.822 179.86 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -109.02 107.29 17.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 18' ' ' ARG . 44.4 mt-10 -88.12 88.92 7.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.452 ' HB3' ' N ' ' A' ' 25' ' ' GLY . 6.0 ptt180 -34.51 121.36 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -74.48 -43.8 54.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -105.75 172.15 6.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.93 -47.06 82.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -57.79 -46.81 84.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.541 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 31.9 mt-10 -53.27 139.31 29.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.94 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.7 tp -99.66 118.73 36.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.452 ' N ' ' HB3' ' A' ' 18' ' ' ARG . . . -91.97 137.33 13.7 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.451 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.462 ' CG ' HD11 ' A' ' 32' ' ' ILE . 9.3 p90 -143.45 157.17 44.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.458 ' HD3' ' N ' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -87.37 175.93 7.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.828 -179.882 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -70.38 134.54 47.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.807 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 61.34 42.78 11.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.04 129.33 55.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 22.7 mm -81.86 127.52 39.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.746 HG23 ' O ' ' A' ' 46' ' ' GLU . 13.0 mt -123.29 143.51 36.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.157 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 19.4 m -86.63 111.23 20.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.421 HD12 ' HB3' ' A' ' 8' ' ' ARG . 23.6 mt -68.17 112.63 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.9 mm -82.43 -59.2 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.8 t -143.37 176.42 9.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -127.92 76.41 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.6 tptt -47.7 -46.85 29.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -140.1 139.16 35.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -41.08 -39.7 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -83.33 -46.69 12.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 98.9 m -99.27 116.95 32.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 52.7 m0 -108.19 177.04 4.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.0 t -127.29 130.2 70.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.059 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.28 175.93 20.62 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.746 ' O ' HG23 ' A' ' 32' ' ' ILE . 10.6 tt0 -128.9 152.19 48.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.912 0.387 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.41 ' N ' ' HG2' ' A' ' 46' ' ' GLU . 12.1 tp -170.82 133.3 0.93 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.971 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 55.69 34.4 23.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.44 8.31 85.72 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 mt -125.57 128.81 48.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.824 0.345 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.44 ' HB3' ' CB ' ' A' ' 46' ' ' GLU . 22.0 ptt85 -128.37 159.14 36.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.24 -174.21 46.54 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.541 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.541 ' CE2' ' HG2' ' A' ' 23' ' ' GLU . 16.8 p-90 -84.07 156.2 22.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.922 0.391 . . . . 0.0 110.873 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -171.23 152.33 3.37 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.645 0.735 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.474 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 53.4 Cg_endo -69.82 111.6 2.87 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.49 -38.3 53.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.034 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -50.46 -36.33 32.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.581 ' CD2' HD11 ' A' ' 14' ' ' LEU . 10.0 m-85 -65.96 -27.99 68.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.777 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.4 m -113.79 173.09 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -127.37 138.57 53.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.455 HG12 ' N ' ' A' ' 62' ' ' LEU . 64.9 t -70.71 155.39 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.108 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.455 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.5 OUTLIER -139.57 113.25 8.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 64' ' ' GLU . 9.0 p-10 -84.53 37.06 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 63' ' ' ASP . 30.2 mp0 34.4 42.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -83.73 37.93 0.61 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.8 t -80.32 101.63 9.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.581 ' HE3' ' CE1' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -163.98 174.67 11.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -110.97 174.76 5.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.581 ' CE1' ' HE3' ' A' ' 67' ' ' LYS . 4.9 m-85 -117.17 160.11 21.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 t -122.15 111.41 16.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.3 mp -134.26 124.89 46.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.56 169.93 13.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.2 m -88.92 176.86 6.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -173.67 -93.95 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -44.73 1.93 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.62 2.213 . . . . 0.0 112.442 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.6 t -154.7 145.98 22.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.9 t -99.57 153.96 18.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.829 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.456 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.0 t -61.31 -47.18 87.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.916 0.388 . . . . 0.0 110.874 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 t -55.11 147.03 16.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.832 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.17 -40.81 0.32 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.549 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.4 m -39.68 -47.74 2.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.92 0.39 . . . . 0.0 110.864 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.8 p -56.31 98.21 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.99 133.16 1.51 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.55 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.3 mtt85 -136.96 176.96 8.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.876 0.369 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.458 ' HD2' ' CG2' ' A' ' 31' ' ' ILE . 19.4 mtm180 -147.43 142.14 26.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.825 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -126.02 135.8 52.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -87.88 130.82 34.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.74 106.7 6.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.173 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.447 HD21 ' HB2' ' A' ' 60' ' ' GLU . 11.2 mt -62.07 -33.01 73.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -144.62 174.79 10.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.949 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -80.45 144.34 32.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -142.56 118.13 10.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -99.37 98.01 8.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.63 153.61 0.78 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.822 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -108.44 -51.93 2.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -90.28 141.72 28.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -42.68 -36.55 1.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -68.8 -48.81 62.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.43 ' HG2' ' NE1' ' A' ' 53' ' ' TRP . 40.4 mt-10 -51.2 134.57 27.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.802 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.436 ' CD1' ' HB2' ' A' ' 50' ' ' LEU . 38.9 tp -101.13 123.46 45.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.974 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.08 177.14 28.68 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.413 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.558 ' CG ' HD11 ' A' ' 32' ' ' ILE . 3.3 p90 -173.12 178.79 2.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 110.903 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -116.56 175.77 5.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.0 tttm -71.21 141.57 50.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 60.06 41.97 16.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.83 144.08 44.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.807 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.458 ' CG2' ' HD2' ' A' ' 9' ' ' ARG . 49.4 mm -95.59 124.28 48.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.558 HD11 ' CG ' ' A' ' 26' ' ' PHE . 28.7 mt -122.18 125.29 72.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.165 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.409 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 51.6 m -73.5 132.9 43.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.172 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.3 mt -94.3 111.37 25.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.086 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.7 mm -84.43 -65.4 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -124.05 153.37 41.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -112.97 79.52 1.24 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.447 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 25.5 tptt -39.29 -48.01 1.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.853 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.447 ' CG ' ' O ' ' A' ' 38' ' ' LYS . 31.5 m-20 -167.08 164.32 15.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -53.43 -15.57 1.1 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -101.01 -56.38 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.4 p -98.8 129.01 45.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.428 ' CH2' ' CG2' ' A' ' 61' ' ' VAL . 49.8 m0 -120.47 163.67 17.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 94.1 t -123.54 117.91 52.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -119.6 -166.45 13.33 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -145.82 125.11 13.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.89 0.376 . . . . 0.0 110.843 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 tp -156.79 147.81 21.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 48.26 34.18 4.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.48 ' O ' HD23 ' A' ' 50' ' ' LEU . . . 68.55 31.18 73.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.442 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' ' 49' ' ' GLY . 21.4 mt -130.69 128.5 41.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.781 0.324 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -122.15 106.9 11.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -149.66 -166.49 13.32 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.43 ' NE1' ' HG2' ' A' ' 23' ' ' GLU . 6.2 p-90 -94.94 163.67 13.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.866 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -171.65 152.81 3.24 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.594 0.711 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 111.34 2.8 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.75 2.3 . . . . 0.0 112.283 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 59' ' ' VAL . . . -55.15 -42.6 73.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -43.82 -36.63 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -65.06 -35.89 82.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.42 ' N ' ' O ' ' A' ' 56' ' ' ALA . 13.0 m -107.97 175.33 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.447 ' HB2' HD21 ' A' ' 13' ' ' LEU . 26.8 tp10 -131.02 127.65 38.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.527 HG12 ' N ' ' A' ' 62' ' ' LEU . 80.3 t -61.23 158.99 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.527 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.5 OUTLIER -142.96 127.31 17.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.961 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -113.42 86.47 2.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -65.34 174.93 1.89 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 51.21 37.2 17.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.8 m -120.27 153.05 36.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.82 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.19 134.39 55.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -157.11 159.77 38.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -120.37 87.91 2.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.5 t -131.65 176.07 8.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.7 mt -59.14 134.96 24.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.86 161.35 8.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.079 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.0 p -114.47 130.68 56.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.825 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -55.66 179.92 0.36 Allowed Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.48 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 76' ' ' SER . 53.2 Cg_endo -69.92 -1.15 8.12 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.644 2.229 . . . . 0.0 112.334 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 75' ' ' PRO . 66.7 m -34.93 -46.36 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.7 m -89.58 153.43 20.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.823 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.425 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.459 179.999 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.203 0 N-CA-C 112.403 -0.279 . . . . 0.0 112.403 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.9 p -44.51 160.22 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.933 0.397 . . . . 0.0 110.736 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 m -70.15 166.95 18.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.782 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.83 -111.7 0.49 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.502 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.7 t -141.93 150.18 41.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.866 0.365 . . . . 0.0 110.876 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.4 m -83.79 101.84 11.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.85 127.19 14.7 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -130.23 170.79 13.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.321 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.8 mtm180 -143.82 135.61 26.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.81 142.92 46.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -94.12 131.61 39.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.95 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.98 103.7 8.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.031 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.0 mt -61.75 -33.59 74.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -145.81 172.52 13.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -74.72 138.22 42.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.853 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -126.99 109.15 11.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -89.77 102.96 15.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 ptt180 -64.33 125.78 25.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.823 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -76.45 -47.0 24.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -108.23 143.52 36.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.798 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' ASP . 0.6 OUTLIER -41.6 -55.72 2.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' ASP . 20.6 m-20 -37.21 -53.46 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.82 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.508 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 3.7 mm-40 -55.14 156.51 3.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.1 tp -112.43 108.38 17.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.983 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.35 152.04 26.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.392 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.641 ' CB ' HD11 ' A' ' 32' ' ' ILE . 3.0 p90 -153.9 174.52 14.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.2 mmt85 -113.02 173.52 6.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.789 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -69.96 143.33 52.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.952 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 59.62 42.5 17.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -119.52 142.71 48.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.8 mm -94.14 126.86 46.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.19 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.641 HD11 ' CB ' ' A' ' 26' ' ' PHE . 20.4 mt -124.56 125.79 70.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.471 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 98.9 m -71.19 138.86 49.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.4 mt -99.94 114.45 38.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.6 mm -89.86 -64.07 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.102 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -124.94 160.18 29.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.834 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -135.53 111.0 9.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.4 -46.91 18.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 41' ' ' HIS . 23.2 p-10 -167.73 147.25 4.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.914 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -39.38 -26.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 39' ' ' ASP . 59.6 m170 -69.93 -53.14 19.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.782 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 19.6 m -130.78 135.82 48.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.804 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.505 ' HZ3' HG22 ' A' ' 61' ' ' VAL . 49.4 m0 -122.56 176.18 6.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.627 HG13 ' O ' ' A' ' 52' ' ' GLY . 92.2 t -125.18 125.31 69.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.471 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -129.73 -168.91 12.42 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.503 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -141.72 126.61 18.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 110.92 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.1 tp -156.31 147.66 22.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 55.64 33.12 20.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.51 31.36 76.41 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.527 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.6 mt -130.04 162.53 28.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.785 0.326 . . . . 0.0 110.996 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -140.11 107.09 5.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.946 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.627 ' O ' HG13 ' A' ' 44' ' ' VAL . . . -144.38 -157.84 7.37 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.46 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.508 ' CE2' ' HG2' ' A' ' 23' ' ' GLU . 7.7 p-90 -115.45 169.22 9.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.76 0.314 . . . . 0.0 110.934 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.44 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 4.7 p90 -173.5 152.77 2.18 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.637 0.732 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.69 115.67 4.19 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.621 2.214 . . . . 0.0 112.36 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.32 -38.76 71.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.98 -34.11 19.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -67.74 -32.64 73.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.0 m -110.68 179.19 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -131.79 128.54 39.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.505 HG22 ' HZ3' ' A' ' 43' ' ' TRP . 41.1 t -66.41 146.12 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.099 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.42 142.15 49.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.777 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -120.32 94.03 4.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.803 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -51.89 172.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -80.56 164.73 22.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.9 t 53.26 44.06 30.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.78 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -131.97 111.79 11.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -174.78 107.82 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.81 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -115.38 102.79 10.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.5 t -157.64 155.22 29.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.829 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.0 pt -80.25 175.82 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.234 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.15 95.5 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.122 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 83.5 p -134.21 143.21 47.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -133.84 -165.83 11.13 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.498 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 76' ' ' SER . 53.2 Cg_endo -69.92 -3.68 12.6 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.659 2.24 . . . . 0.0 112.25 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 75' ' ' PRO . 17.6 p -34.6 125.14 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.852 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.8 t 60.75 41.27 15.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.777 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -96.7 152.71 18.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.847 0.356 . . . . 0.0 110.917 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.2 m -120.77 94.85 4.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.98 -137.83 14.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.577 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 m -128.0 -42.31 1.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.908 0.385 . . . . 0.0 110.871 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.9 m -71.05 112.7 7.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.866 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.21 119.7 1.02 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.519 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -114.95 166.27 11.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.881 0.372 . . . . 0.0 110.825 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.3 mtt85 -146.46 147.7 31.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.414 ' HB1' ' CG2' ' A' ' 59' ' ' VAL . . . -131.54 149.72 52.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.154 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.8 ttpp -97.8 128.8 44.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.68 103.19 4.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.192 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.6 mt -64.31 -23.59 67.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.971 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.656 HD12 ' O ' ' A' ' 15' ' ' ASP . 3.9 pp -152.81 176.01 12.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.656 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.2 t0 -82.4 134.26 35.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -120.71 113.51 20.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -90.89 94.16 9.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.407 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 24.6 ptt-85 -43.5 119.11 1.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -88.64 21.74 2.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -162.1 151.92 16.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.3 -26.89 65.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.902 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -86.74 -42.5 13.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -48.94 131.93 18.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.0 tp -89.81 110.63 21.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.72 166.86 29.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.497 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.438 ' CG ' HD11 ' A' ' 32' ' ' ILE . 2.5 p90 -161.89 179.76 7.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.801 0.334 . . . . 0.0 110.898 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -120.97 165.01 15.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.8 tttt -58.14 137.97 56.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 62.34 53.27 2.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -128.35 140.45 51.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.828 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.9 mm -93.47 131.51 40.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.438 HD11 ' CG ' ' A' ' 26' ' ' PHE . 31.8 mt -127.13 136.63 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.451 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 45.1 m -85.14 130.91 34.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.1 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.8 mt -92.74 111.39 24.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.229 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.593 HD11 ' OE1' ' A' ' 46' ' ' GLU . 3.5 mm -83.79 -64.94 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t -133.91 113.8 12.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -72.98 79.55 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.0 tttp -41.02 -47.35 3.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.527 ' O ' ' CD1' ' A' ' 43' ' ' TRP . 2.7 p-10 -173.07 153.44 2.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.424 ' CD ' ' O ' ' A' ' 40' ' ' GLU . 11.1 tm-20 -49.97 -23.22 1.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -88.15 -34.14 17.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 82.3 m -137.49 122.46 18.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.527 ' CD1' ' O ' ' A' ' 39' ' ' ASP . 44.4 m0 -115.95 155.41 28.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.864 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.763 HG13 ' O ' ' A' ' 52' ' ' GLY . 89.1 t -115.76 115.07 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.101 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.451 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -119.96 -168.38 13.8 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.566 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.593 ' OE1' HD11 ' A' ' 35' ' ' ILE . 6.2 tt0 -136.31 122.89 20.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 0.0 110.879 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.417 HD13 HG12 ' A' ' 32' ' ' ILE . 5.9 tp -154.99 145.35 22.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 55.94 29.4 14.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.951 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.86 24.69 75.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.454 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.1 mt -124.21 149.39 46.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.791 0.329 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -132.09 116.0 16.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.801 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.763 ' O ' HG13 ' A' ' 44' ' ' VAL . . . -153.49 -154.08 6.62 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.563 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 18.9 p-90 -113.47 155.71 24.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.804 0.335 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -166.46 151.57 7.46 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.746 0.784 . . . . 0.0 110.82 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.582 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 52.7 Cg_endo -69.77 137.29 35.09 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.711 2.274 . . . . 0.0 112.278 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.41 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -79.36 -28.96 41.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.076 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.559 ' HD2' ' CD1' ' A' ' 58' ' ' PHE . 0.3 OUTLIER -59.79 -15.09 17.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.582 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 9.0 m-85 -82.51 -34.92 27.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.414 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 4.5 m -110.85 176.72 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -126.9 131.7 51.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.818 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 22.0 t -68.59 150.19 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.046 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.29 147.38 50.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -129.86 106.3 8.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 65' ' ' ARG . 55.6 mt-10 -94.04 153.6 18.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 64' ' ' GLU . 28.9 ptt180 35.98 41.31 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.4 t -131.94 135.14 46.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.419 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 1.5 tmmm? -88.39 85.81 6.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.801 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -144.54 121.81 11.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.419 ' CE2' ' HD3' ' A' ' 67' ' ' LYS . 5.6 m-85 -125.11 163.83 21.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.3 t -133.41 -33.67 1.1 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.822 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 14.6 pt -57.09 155.67 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -125.76 104.72 8.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.1 m -46.0 165.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.837 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 172.36 74.09 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.518 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 120.89 7.61 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.641 2.228 . . . . 0.0 112.362 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.6 p -68.3 -45.58 72.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.0 t -86.46 42.2 0.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.426 -179.957 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.426 -0.27 . . . . 0.0 112.426 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 1' ' ' GLY . 50.1 p 35.85 42.11 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.933 0.397 . . . . 0.0 110.864 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.1 p -77.86 -52.9 8.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.859 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.4 148.03 5.91 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -102.92 43.58 1.07 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.873 0.368 . . . . 0.0 110.863 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.8 p -103.78 103.47 13.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.817 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.91 135.67 3.04 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.418 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -106.07 140.68 38.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.851 0.357 . . . . 0.0 110.837 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.8 mtm-85 -132.54 133.91 44.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.493 ' HB1' ' CG2' ' A' ' 59' ' ' VAL . . . -119.89 128.67 53.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.034 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' C ' ' HD2' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -84.56 134.18 34.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.588 ' HB3' ' H ' ' A' ' 30' ' ' ASP . . . -71.8 126.3 29.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.1 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.622 ' HB2' HD23 ' A' ' 14' ' ' LEU . 59.4 mt -82.44 -28.25 31.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.622 HD23 ' HB2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -149.85 -178.24 6.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -84.33 119.39 25.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.821 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -116.85 103.71 10.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -87.15 112.58 22.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.31 157.16 38.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -112.15 -51.94 2.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -99.0 144.85 27.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -42.78 -38.38 2.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.93 -42.17 89.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.846 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.528 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 21.7 mt-10 -71.32 138.72 49.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 36.9 tp -108.79 116.28 31.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.39 161.47 27.55 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.476 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.74 ' CB ' HD11 ' A' ' 32' ' ' ILE . 2.9 p90 -160.24 157.55 28.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.715 0.293 . . . . 0.0 110.968 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -91.15 172.01 8.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -66.71 139.44 57.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 61.39 31.96 19.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.588 ' H ' ' HB3' ' A' ' 12' ' ' ALA . 1.2 m-20 -102.7 133.53 47.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.6 mm -90.15 131.43 37.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.74 HD11 ' CB ' ' A' ' 26' ' ' PHE . 23.2 mt -127.84 129.94 69.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.19 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.413 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 53.7 m -73.93 134.49 43.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.084 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 60.6 mt -94.22 114.37 30.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.2 mm -85.97 -60.7 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -139.15 145.96 40.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -98.78 78.88 2.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -44.64 -66.4 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -116.31 177.22 4.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.957 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -69.0 -42.52 76.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -92.71 -37.63 12.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.771 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.469 ' HG ' ' HZ3' ' A' ' 53' ' ' TRP . 85.0 m -94.39 120.98 35.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 52.7 m0 -118.71 160.8 21.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.6 t -114.82 113.77 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.413 ' CA ' ' O ' ' A' ' 33' ' ' THR . . . -113.98 -164.39 15.25 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -143.89 123.47 13.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.419 HD13 HG12 ' A' ' 32' ' ' ILE . 5.3 tp -153.92 150.0 27.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 53.15 28.39 6.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.76 28.74 70.32 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.0 mt -127.35 161.79 27.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.797 0.332 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.1 mtt180 -140.05 111.32 7.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.821 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -149.77 -167.48 14.22 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.425 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.528 ' CE2' ' HG2' ' A' ' 23' ' ' GLU . 16.7 p-90 -104.11 159.23 15.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.821 0.343 . . . . 0.0 110.858 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -166.0 152.46 8.61 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.666 0.746 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 115.71 4.21 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.756 2.304 . . . . 0.0 112.363 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.31 -35.93 76.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.052 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.27 -25.5 9.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -77.09 -27.83 54.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.493 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 4.8 m -113.76 169.54 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -122.61 129.76 52.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.823 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 62.0 t -65.55 148.63 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.103 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.36 170.66 14.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -145.79 125.55 13.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -139.52 171.3 14.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 50.64 49.04 21.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.82 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 67' ' ' LYS . 2.1 t -123.84 150.89 44.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -34.33 116.02 0.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -132.89 146.97 52.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -112.76 157.47 21.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 34.7 m -94.61 95.6 8.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.9 mm -134.15 143.07 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.165 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -152.3 142.23 22.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.03 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.3 m 38.73 31.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -93.87 -80.12 1.47 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.576 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -14.43 35.87 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.736 2.291 . . . . 0.0 112.368 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 44.4 t -52.34 107.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 79.1 p -42.95 106.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.869 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.467 -179.977 . . . . . . . . 0 0 . 1 stop_ save_