data_1wwx_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 1wwx _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.427 HD22 ' CD2' ' A' ' 69' ' ' LEU . 15.0 tp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.816 0.341 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 15.6 p-90 -40.77 -33.11 0.26 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -44.52 33.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 15' ' ' VAL . 0.9 OUTLIER -61.83 -54.3 44.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.445 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 7.4 p -59.0 -34.9 54.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 5.7 ttp180 -71.54 -47.12 57.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -53.29 -37.42 62.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.43 ' CD2' ' HB2' ' A' ' 25' ' ' ASN . 12.3 mt -58.76 -35.0 72.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.463 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . 26.6 mt -69.7 -30.63 68.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.2 mt -96.58 -2.75 44.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 m -126.13 81.47 66.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.682 0.753 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -9.87 27.19 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.637 2.225 . . . . 0.0 112.382 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.38 -27.8 38.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.07 -40.33 7.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.43 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . 14.0 t30 -76.92 129.31 36.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.3 85.43 2.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 48.91 47.95 31.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.5 mt -103.03 -29.61 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 111.136 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.4 mt -136.02 170.35 16.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -142.7 144.88 32.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.463 ' NE1' ' HB3' ' A' ' 19' ' ' LEU . 6.3 m95 -88.83 98.52 11.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -78.04 -30.49 49.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.546 ' CG ' ' NE2' ' A' ' 36' ' ' GLN . 28.8 m-20 -158.36 110.69 2.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -39.31 66.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -66.68 -52.63 42.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.546 ' NE2' ' CG ' ' A' ' 33' ' ' ASP . 17.9 mt-30 -74.69 -34.21 62.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.76 23.19 18.94 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.461 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.6 mt -84.32 134.97 25.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.853 0.358 . . . . 0.0 111.107 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.416 ' CZ ' ' HB2' ' A' ' 87' ' ' TYR . 11.9 p90 -137.3 156.38 48.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.46 ' HG2' ' N ' ' A' ' 41' ' ' VAL . 12.2 ttt180 -115.9 151.02 36.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.46 ' N ' ' HG2' ' A' ' 40' ' ' ARG . 48.6 t -101.44 79.55 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.3 t -50.93 -46.04 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -114.51 89.63 3.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 86.3 p -66.84 -22.02 66.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -80.76 -48.5 12.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.08 -32.24 73.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.9 tp -57.14 -53.6 56.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.72 -51.11 53.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.23 -46.44 12.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.7 mmm -69.47 -41.56 76.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.514 ' CD1' HD12 ' A' ' 65' ' ' LEU . 21.5 t-105 -55.97 -55.07 37.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 56' ' ' LYS . . . -46.65 -50.56 14.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.499 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.37 -34.35 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.931 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -72.57 -34.01 67.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -101.97 7.44 41.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 52' ' ' GLY . 1.8 mttm 58.04 30.82 19.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -100.07 82.62 2.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.88 -24.45 6.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.6 mtt85 -96.87 29.33 3.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.415 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 48.0 tpp -85.17 133.15 34.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.1 t -152.78 154.12 34.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -39.53 -57.29 1.48 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -40.26 -41.74 1.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp -80.08 -53.12 7.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.514 HD12 ' CD1' ' A' ' 51' ' ' TRP . 3.0 tt -45.42 -51.33 11.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 69' ' ' LEU . 9.4 p -44.02 -40.5 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.6 ptt-85 -40.07 -38.01 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.426 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -84.91 -28.57 25.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.567 HD12 ' CE2' ' A' ' 87' ' ' TYR . 87.8 mt -68.82 -31.89 71.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.476 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 3.0 mmt180 -90.16 -20.4 23.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -84.72 -15.79 43.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.426 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 5.8 m-85 -76.35 -23.39 54.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.476 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 22.9 m-85 -62.24 -24.55 67.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -74.2 -39.57 63.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.3 p -88.06 -22.17 24.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 102.69 -16.81 54.33 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.404 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 7.5 mm -41.87 -41.83 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.7 mt -116.67 167.74 10.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -126.07 121.14 32.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -61.03 134.11 56.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.414 HG13 ' N ' ' A' ' 82' ' ' ASP . 49.7 t -122.89 152.02 27.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.414 ' N ' HG13 ' A' ' 81' ' ' VAL . 0.6 OUTLIER -96.31 33.88 1.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -120.8 -179.32 3.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.6 126.13 48.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.9 mp 52.18 34.61 14.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.9 t -125.58 115.0 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.567 ' CE2' HD12 ' A' ' 69' ' ' LEU . 4.8 m-85 -117.64 168.54 10.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -151.15 130.95 13.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 90.2 m-85 -69.33 129.06 38.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -72.06 -151.2 1.15 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -94.2 -23.98 17.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.805 0.336 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -62.54 -34.53 77.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.31 158.25 34.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.112 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -137.17 173.2 11.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.71 -48.15 2.3 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.507 ' CZ2' ' HG3' ' A' ' 97' ' ' GLN . 23.4 p-90 -76.52 -40.0 51.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.752 0.31 . . . . 0.0 110.946 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.507 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 1.8 mt-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.546 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 1.7 tm? . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.838 0.351 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.552 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 35.1 p-90 -56.06 -36.21 67.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.552 ' HG2' ' CH2' ' A' ' 12' ' ' TRP . 0.7 OUTLIER -72.95 -34.57 66.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.523 ' CE1' ' HB2' ' A' ' 51' ' ' TRP . 0.9 OUTLIER -64.44 -48.3 75.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.915 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.0 p -72.24 -19.19 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -82.92 -52.0 7.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -51.16 -38.78 54.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 25' ' ' ASN . 18.0 mt -52.2 -42.76 63.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.462 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . 7.9 mt -62.73 -33.82 75.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.953 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mt -90.74 -14.76 31.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.0 m -114.73 80.61 6.57 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.677 0.751 . . . . 0.0 110.834 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -11.19 30.32 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.351 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.88 -25.97 43.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.47 -42.39 5.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.469 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . 11.4 t30 -70.25 130.72 42.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.45 85.42 2.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.49 45.05 22.74 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 33.6 mt -98.78 -30.56 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.927 0.394 . . . . 0.0 111.148 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -138.02 171.08 14.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.413 ' CG ' ' HB3' ' A' ' 40' ' ' ARG . 5.3 pt-20 -146.81 154.42 41.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.548 ' NE1' ' NH1' ' A' ' 34' ' ' ARG . 14.4 m95 -97.97 103.59 15.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -85.62 -25.93 26.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.97 96.29 0.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.548 ' NH1' ' NE1' ' A' ' 31' ' ' TRP . 1.7 tpt180 -66.1 -36.28 82.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -58.25 -47.35 83.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -85.08 -27.74 26.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.491 ' HA3' ' CH2' ' A' ' 96' ' ' TRP . . . 92.76 27.32 14.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.519 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.9 mt -90.88 142.18 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 111.155 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.559 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 34.9 p90 -148.16 150.07 33.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.413 ' HB3' ' CG ' ' A' ' 30' ' ' GLU . 35.7 ttt180 -111.39 147.49 35.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.0 t -94.14 82.97 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.0 t -51.17 -47.89 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.122 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -114.32 106.94 14.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.434 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 42.9 p -81.45 -27.89 34.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -80.53 -32.11 36.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.92 -34.81 44.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.118 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 23.6 tp -62.92 -49.47 74.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.16 -41.89 76.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -56.65 -52.09 66.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.448 ' CE ' HD22 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -63.97 -45.55 88.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.878 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.523 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 22.8 t-105 -56.7 -54.91 40.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.47 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -45.38 -41.44 8.77 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -60.04 -30.87 69.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.338 . . . . 0.0 110.883 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -70.17 -35.87 74.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.02 -3.47 57.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.32 30.16 11.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -100.79 142.14 32.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.69 20.3 18.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.446 ' O ' ' NZ ' ' A' ' 64' ' ' LYS . 9.5 mtt85 -137.29 30.79 2.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.47 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 41.7 tpp -81.52 139.74 34.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.452 HG23 ' CD ' ' A' ' 64' ' ' LYS . 4.9 t -166.83 140.02 3.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.434 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 4.1 t80 -35.81 -46.36 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -48.12 -46.36 34.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.452 ' CD ' HG23 ' A' ' 61' ' ' THR . 9.4 mttt -82.95 -45.85 13.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.4 tt -48.59 -44.08 36.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.0 p -51.34 -33.94 31.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.442 ' CG ' ' N ' ' A' ' 68' ' ' ALA . 1.0 OUTLIER -42.52 -44.62 4.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.834 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.577 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -72.2 -34.08 68.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.428 ' HA ' ' CD1' ' A' ' 78' ' ' LEU . 61.1 mt -67.13 -41.18 86.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.532 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 5.6 mmm180 -83.11 -17.58 42.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.455 ' O ' ' CD1' ' A' ' 71' ' ' TYR . 19.2 t80 -88.65 -17.8 29.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.577 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 9.1 m-85 -78.6 -14.97 59.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.947 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.532 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 23.0 m-85 -70.17 -2.63 13.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -98.5 -36.4 9.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.0 p -90.07 -19.54 24.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.132 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 102.7 -15.18 55.96 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.536 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.43 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 3.6 mm -46.14 -43.79 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.871 0.367 . . . . 0.0 111.113 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.429 ' HB2' ' CB ' ' A' ' 72' ' ' TYR . 8.4 mt -116.69 162.87 16.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.46 124.49 44.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -60.29 134.36 56.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.4 HG11 ' N ' ' A' ' 82' ' ' ASP . 92.6 t -128.23 147.32 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.17 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.4 ' N ' HG11 ' A' ' 81' ' ' VAL . 78.3 m-20 -96.34 41.42 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.47 177.46 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 -100.49 116.13 31.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.458 HD12 ' N ' ' A' ' 85' ' ' LEU . 5.6 mp 59.76 32.62 21.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 89.5 t -125.08 106.19 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -109.0 171.44 7.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -151.76 128.08 10.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.559 ' CE2' ' CE1' ' A' ' 39' ' ' PHE . 83.3 m-85 -68.61 133.5 48.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.6 -154.4 6.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.512 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.82 -21.17 22.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.33 . . . . 0.0 110.922 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.03 -34.13 77.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.95 158.22 36.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -140.83 172.27 12.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 95.26 -53.11 1.83 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.491 ' CH2' ' HA3' ' A' ' 37' ' ' GLY . 34.5 p-90 -72.81 -39.88 66.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.678 0.275 . . . . 0.0 110.911 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.455 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 3.5 mt-30 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.2 tp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.792 0.33 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.499 ' CE3' ' HB1' ' A' ' 93' ' ' ALA . 20.6 p-90 -40.83 -41.44 1.58 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.485 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.3 OUTLIER -66.91 -43.13 84.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.883 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.456 ' CD1' ' N ' ' A' ' 15' ' ' VAL . 1.6 t80 -60.75 -58.39 8.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.456 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 3.1 p -57.19 -26.51 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.09 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.409 ' NH2' ' OD2' ' A' ' 17' ' ' ASP . 7.9 ttp180 -77.3 -53.16 8.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.409 ' OD2' ' NH2' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -49.01 -29.55 5.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.405 ' CD2' ' HB2' ' A' ' 25' ' ' ASN . 9.1 mt -64.68 -45.73 85.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.429 HD23 ' CE2' ' A' ' 31' ' ' TRP . 6.6 mt -59.21 -36.85 76.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mt -84.39 -11.76 55.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 m -118.96 80.58 18.41 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.682 0.753 . . . . 0.0 110.835 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -5.34 15.97 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.702 2.268 . . . . 0.0 112.321 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -85.08 -26.54 26.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.08 -41.3 6.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 26' ' ' CYS . 6.4 t30 -72.79 132.89 44.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.442 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.5 OUTLIER -116.21 86.01 2.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.7 32.6 8.34 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.439 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.6 mt -84.02 -31.97 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.361 . . . . 0.0 111.121 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 mt -134.61 170.9 15.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -141.43 147.45 37.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.429 ' CE2' HD23 ' A' ' 19' ' ' LEU . 9.1 m95 -92.2 92.76 8.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -71.97 -33.31 68.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -160.91 110.79 1.7 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.5 mmm-85 -71.02 -42.41 69.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -60.38 -52.39 65.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -75.8 -34.67 60.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.434 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 95.36 26.65 11.79 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.4 mt -87.05 137.72 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 111.135 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -137.92 153.12 49.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.8 ttt85 -114.1 145.08 42.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.9 t -90.13 82.69 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.2 t -54.02 -48.92 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -117.12 94.09 4.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.408 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 51.8 p -68.2 -14.42 62.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -87.64 -46.72 9.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.87 -37.05 81.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 35.9 tp -55.72 -49.59 72.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.39 -50.84 23.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -48.03 -47.29 33.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.1 mmm -66.85 -48.77 67.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 20.9 t-105 -50.43 -55.24 16.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.16 -47.49 33.46 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.478 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -48.65 -36.2 15.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.772 0.32 . . . . 0.0 110.866 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -69.18 -36.42 77.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.91 -2.73 58.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.56 32.84 15.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.869 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.484 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 43.2 t-20 -79.81 -48.37 13.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.932 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 3.4 t0 83.46 -22.42 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.6 mmt85 -108.37 28.99 7.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 50.7 tpp -81.29 139.14 35.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 64' ' ' LYS . 9.9 t -157.14 137.81 13.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.196 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 61' ' ' THR . 4.1 t80 -35.4 -41.87 0.19 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.08 -47.3 68.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 61' ' ' THR . 30.3 mttm -79.7 -43.21 23.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.6 tt -52.93 -49.33 66.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.9 p -44.89 -35.89 3.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.407 ' CG ' ' N ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -44.69 -42.55 7.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.407 ' N ' ' CG ' ' A' ' 67' ' ' ARG . . . -75.96 -35.98 59.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.6 mt -61.51 -41.67 97.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.544 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -81.62 -18.97 42.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.848 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -88.41 -14.48 37.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.422 ' CD1' ' HB ' ' A' ' 77' ' ' ILE . 4.3 m-85 -77.28 -21.97 52.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.544 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 24.4 m-85 -62.34 -20.22 64.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.89 -43.6 24.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.855 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 37.4 p -82.16 -15.75 52.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.131 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 95.84 -13.78 65.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.422 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 8.4 mm -45.21 -45.48 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.852 0.358 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.7 mt -116.64 161.81 18.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -116.88 122.39 44.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.444 ' HD2' ' CD2' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -58.78 118.44 5.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 42.0 t -110.84 144.22 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.54 37.8 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -115.54 -170.3 1.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -100.79 117.8 35.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.3 mm? 45.51 42.35 7.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 49.6 t -129.32 113.39 27.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -112.97 168.4 9.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -147.21 132.89 18.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.909 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -71.26 129.94 40.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -75.27 -152.73 3.51 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.447 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.2 -16.39 24.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.797 0.332 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -69.89 -25.79 63.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.499 ' HB1' ' CE3' ' A' ' 12' ' ' TRP . . . -84.76 135.04 34.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 20.1 p80 -122.74 143.02 50.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 124.79 -39.79 2.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.498 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.464 ' CZ2' ' HG3' ' A' ' 97' ' ' GLN . 42.3 p-90 -82.71 -43.15 17.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.665 0.269 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.464 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 1.2 mt-30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.491 HD22 ' CD2' ' A' ' 51' ' ' TRP . 1.1 tm? . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.78 0.324 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.534 ' HB3' ' CE2' ' A' ' 72' ' ' TYR . 13.9 p-90 -45.45 -38.14 5.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.509 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.5 OUTLIER -73.45 -39.9 64.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.434 ' CD1' ' N ' ' A' ' 15' ' ' VAL . 1.8 t80 -56.67 -57.35 12.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.434 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 2.7 p -60.93 -42.33 92.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.407 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -60.33 -43.23 96.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 21' ' ' SER . 14.0 t70 -52.87 -51.15 62.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.419 ' CB ' ' HB2' ' A' ' 25' ' ' ASN . 7.8 mp -44.22 -45.12 8.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.475 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 68.3 mt -60.23 -39.94 88.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.9 mt -91.48 -5.77 53.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.947 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 17' ' ' ASP . 3.6 m -123.29 82.42 52.26 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.678 0.751 . . . . 0.0 110.855 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -9.89 27.21 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.279 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -79.78 -26.95 40.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.842 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.32 -46.11 4.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.419 ' HB2' ' CB ' ' A' ' 18' ' ' LEU . 45.0 t30 -64.29 121.07 13.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -115.59 86.55 2.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.03 36.06 19.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 29.6 mt -93.28 -28.88 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 111.138 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.5 mt -135.98 177.08 8.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.453 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 4.2 mt-10 -148.63 148.41 30.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.475 ' CE2' ' HB3' ' A' ' 19' ' ' LEU . 10.8 m95 -95.18 95.83 8.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -73.58 -36.83 65.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.27 96.64 0.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -58.86 -44.12 90.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.43 -50.17 68.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -79.55 -23.0 43.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.559 ' HA3' ' CH2' ' A' ' 96' ' ' TRP . . . 85.12 28.33 31.25 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.464 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 36.3 mt -92.26 134.95 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.855 0.359 . . . . 0.0 111.173 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.402 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 33.1 p90 -137.26 150.39 47.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.455 ' HG2' ' N ' ' A' ' 41' ' ' VAL . 35.0 ttt180 -112.17 147.8 35.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.455 ' N ' ' HG2' ' A' ' 40' ' ' ARG . 70.3 t -94.45 81.93 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.453 ' CG2' ' HG3' ' A' ' 30' ' ' GLU . 97.9 t -49.07 -49.31 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.5 mttm -116.62 107.78 15.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 83.0 p -77.41 -24.44 50.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -80.96 -46.81 14.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.32 -39.87 92.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 30.0 tp -55.99 -53.72 53.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.54 -44.16 87.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.068 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -47.0 75.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -37.23 80.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.491 ' CD2' HD22 ' A' ' 11' ' ' LEU . 24.2 t-105 -63.94 -49.26 73.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.467 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -51.13 -45.81 51.38 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -51.63 -33.53 33.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.84 0.352 . . . . 0.0 110.94 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -72.01 -35.82 69.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.61 10.13 41.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 54.49 29.11 10.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -97.56 84.49 3.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.33 -18.34 2.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.8 mmt180 -102.63 31.05 4.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.467 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 38.2 tpp -81.45 132.42 35.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.6 t -150.11 146.04 26.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.135 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -40.25 -42.69 1.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -50.69 -43.05 57.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -83.84 -43.48 15.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.6 tt -53.41 -35.59 60.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.2 p -59.39 -36.44 75.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.45 ' CG ' ' N ' ' A' ' 68' ' ' ALA . 1.3 ptt180 -43.1 -45.21 5.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.45 ' N ' ' CG ' ' A' ' 67' ' ' ARG . . . -72.27 -34.23 68.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.73 -37.34 87.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -87.06 -19.08 29.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -84.15 -16.19 44.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 6.8 m-85 -77.5 -21.89 52.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.944 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.487 ' CE1' ' N ' ' A' ' 80' ' ' ARG . 24.0 m-85 -64.86 -16.91 63.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -80.11 -40.05 28.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.2 p -87.71 -25.42 23.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.17 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 109.9 -18.4 29.02 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.425 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 12.8 mm -39.7 -47.37 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.819 0.342 . . . . 0.0 111.119 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.3 mt -112.07 169.43 8.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -130.72 113.39 14.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.487 ' N ' ' CE1' ' A' ' 73' ' ' TYR . 13.9 ttt180 -50.43 128.67 20.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.9 t -115.67 152.49 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.72 34.24 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -129.17 167.59 17.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -92.53 136.22 33.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.8 mp 48.7 27.63 1.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 29.9 t -124.26 104.83 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -109.86 169.31 8.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -149.71 138.8 21.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.407 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 96.5 m-85 -78.4 133.11 37.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -81.69 -148.79 6.72 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.478 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.78 -24.92 18.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.79 0.329 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.52 -29.14 69.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -82.97 160.15 22.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.082 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 24.2 p80 -147.75 170.31 17.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 101.08 -44.55 1.54 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.559 ' CH2' ' HA3' ' A' ' 37' ' ' GLY . 48.3 p-90 -80.88 -41.5 23.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.722 0.296 . . . . 0.0 110.932 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.417 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.8 tp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.824 0.345 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.545 ' CZ2' ' HG3' ' A' ' 13' ' ' GLU . 15.1 p-90 -40.51 -39.34 1.0 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.545 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.4 OUTLIER -72.83 -41.77 64.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.422 ' CD2' ' N ' ' A' ' 15' ' ' VAL . 2.1 t80 -57.78 -58.86 6.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.422 ' N ' ' CD2' ' A' ' 14' ' ' PHE . 4.8 p -57.77 -42.31 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 4.3 ttp180 -63.45 -40.26 96.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -59.43 -34.22 72.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 25' ' ' ASN . 11.2 mt -60.97 -42.05 97.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.454 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . 9.0 mt -61.77 -40.59 95.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -81.27 -10.73 59.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.7 m -120.55 80.64 30.99 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.611 0.72 . . . . 0.0 110.834 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -6.78 19.4 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.252 . . . . 0.0 112.33 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -82.79 -28.32 30.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.92 -39.58 8.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.463 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . 7.4 t30 -74.7 132.28 41.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.422 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.5 OUTLIER -116.48 85.02 2.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 48.9 36.11 19.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.485 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.4 mt -87.78 -31.12 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.854 0.359 . . . . 0.0 111.145 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 mt -139.29 171.26 14.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.444 ' CG ' ' HB3' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -145.39 149.54 34.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.454 ' NE1' ' HB3' ' A' ' 19' ' ' LEU . 31.6 m95 -89.2 97.33 11.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.976 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -73.3 -28.34 62.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.71 105.06 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -39.28 85.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.416 ' N ' ' OE1' ' A' ' 35' ' ' GLU . 1.4 mp0 -59.82 -54.3 47.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -76.5 -30.37 57.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.492 ' HA3' ' CH2' ' A' ' 96' ' ' TRP . . . 93.14 28.32 12.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.464 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.8 mt -91.58 142.71 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.359 . . . . 0.0 111.138 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.754 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 53.0 p90 -146.96 154.06 40.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.444 ' HB3' ' CG ' ' A' ' 30' ' ' GLU . 45.9 ttt180 -117.17 149.31 40.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.8 t -95.7 87.21 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.4 t -54.05 -44.78 63.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -118.44 93.56 4.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.1 p -68.55 -25.11 64.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -79.11 -38.63 35.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.28 -36.39 61.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 23.0 tp -56.54 -51.0 70.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.34 -49.91 51.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -47.88 -46.58 31.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.433 ' CE ' HD21 ' A' ' 18' ' ' LEU . 2.5 mmm -67.86 -45.67 73.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.529 ' CD1' HD12 ' A' ' 65' ' ' LEU . 20.6 t-105 -52.38 -56.0 17.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.63 -39.86 39.06 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.533 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -54.5 -35.58 63.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.32 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -70.8 -35.18 72.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.828 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -94.62 4.87 53.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.8 mttt 44.4 49.22 8.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.484 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 45.1 t-20 -93.65 -46.95 7.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER 83.59 -34.06 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.1 mpp_? -96.94 22.7 8.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 54.6 tpp -75.83 144.92 41.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 64' ' ' LYS . 9.9 t -165.86 141.41 4.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.162 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 61' ' ' THR . 2.4 t80 -37.41 -42.49 0.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -51.67 -46.46 63.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 61' ' ' THR . 22.3 mttm -82.16 -44.07 16.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.529 HD12 ' CD1' ' A' ' 51' ' ' TRP . 2.6 tt -51.45 -47.6 63.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.4 p -43.71 -37.01 2.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.6 ptt-85 -42.86 -41.11 3.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.31 -34.85 55.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.143 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.6 mt -62.87 -33.45 75.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.466 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -89.7 -24.08 21.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -80.78 -13.89 58.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.428 ' CD1' ' HB ' ' A' ' 77' ' ' ILE . 5.9 m-85 -76.58 -27.36 55.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.466 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 24.1 m-85 -61.07 -18.53 58.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -78.66 -32.11 47.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.448 ' O ' ' CG ' ' A' ' 92' ' ' ASN . 43.0 p -101.2 -6.93 23.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.35 -17.86 51.9 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.516 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.428 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 5.5 mm -38.45 -45.49 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.835 0.35 . . . . 0.0 111.161 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.9 mt -114.35 162.59 16.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.02 117.68 30.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -47.19 126.41 9.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.0 t -118.91 141.2 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -103.0 32.72 3.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.68 -172.75 2.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -102.21 118.84 37.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.0 mp 54.08 28.1 8.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 55.6 t -115.8 107.6 23.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -113.35 169.44 8.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.3 tttm -151.79 135.14 16.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.754 ' CE2' ' CE1' ' A' ' 39' ' ' PHE . 97.6 m-85 -75.66 130.76 39.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -76.73 -153.33 5.1 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -88.15 -27.02 22.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.793 0.33 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 75' ' ' THR . 1.1 m-80 -61.19 -32.16 71.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.65 174.78 5.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -163.73 167.18 21.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 102.41 -41.96 2.01 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.503 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.492 ' CH2' ' HA3' ' A' ' 37' ' ' GLY . 57.7 p-90 -82.93 -39.66 21.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.737 0.303 . . . . 0.0 110.911 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 14' ' ' PHE . 12.1 tp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.783 0.325 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.517 ' CE2' ' HG3' ' A' ' 13' ' ' GLU . 33.0 p-90 -42.79 -29.83 0.34 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.517 ' HG3' ' CE2' ' A' ' 12' ' ' TRP . 2.2 mt-10 -83.21 -35.34 25.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -66.32 -48.27 70.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p -71.73 -36.44 59.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -62.65 -42.71 99.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 21' ' ' SER . 23.8 t70 -54.11 -54.07 44.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.402 ' CB ' ' HB2' ' A' ' 25' ' ' ASN . 7.8 mp -43.23 -43.65 4.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.433 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . 86.4 mt -61.86 -35.73 79.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.4 mt -97.48 -2.78 41.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.962 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 17' ' ' ASP . 2.6 m -122.57 81.44 47.49 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.669 0.747 . . . . 0.0 110.827 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -3.52 12.2 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.703 2.269 . . . . 0.0 112.314 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -88.32 -27.49 21.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.1 -44.77 5.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.402 ' HB2' ' CB ' ' A' ' 18' ' ' LEU . 42.6 t30 -65.36 124.32 21.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.04 86.3 2.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.47 28.57 4.9 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.6 mt -84.25 -28.8 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.89 0.376 . . . . 0.0 111.126 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.0 mt -139.08 172.49 12.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.965 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.06 147.56 30.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.433 ' NE1' ' HB3' ' A' ' 19' ' ' LEU . 7.2 m95 -90.87 101.43 14.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -74.29 -38.07 63.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.33 104.54 1.85 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 48.5 mmm-85 -62.59 -24.43 67.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.67 -51.61 10.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.4 ' O ' ' CE ' ' A' ' 88' ' ' LYS . 5.4 mt-30 -79.27 -14.87 58.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.18 22.11 76.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.472 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.0 mt -84.39 131.65 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 111.102 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.529 ' CZ ' ' HB2' ' A' ' 87' ' ' TYR . 32.5 p90 -130.38 155.93 45.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -116.56 154.94 29.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.409 ' CG1' ' HA ' ' A' ' 44' ' ' SER . 94.3 t -102.06 83.73 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.1 t -52.95 -49.17 50.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.106 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -115.35 87.39 2.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.409 ' HA ' ' CG1' ' A' ' 41' ' ' VAL . 44.5 p -63.14 -11.01 17.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -92.21 -47.81 7.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.54 -24.6 62.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.2 tp -65.1 -44.63 88.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.926 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.94 -45.68 26.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.44 -44.33 62.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -68.98 -47.87 64.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.57 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 17.7 t-105 -53.31 -55.2 26.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.437 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -48.54 -42.08 26.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -54.86 -31.62 59.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.768 0.318 . . . . 0.0 110.927 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.5 mmm-85 -78.31 -34.59 48.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.509 ' HG3' ' CZ2' ' A' ' 51' ' ' TRP . 0.5 OUTLIER -95.77 5.96 50.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.63 31.09 19.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.425 ' C ' ' OD1' ' A' ' 57' ' ' ASN . 30.5 t-20 -100.37 82.6 2.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -51.55 -22.15 3.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -99.49 27.99 4.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.437 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 32.8 tpp -78.68 131.59 36.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.4 t -151.28 145.43 25.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -42.46 -35.53 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -57.97 -41.06 82.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -86.57 -40.26 15.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.534 HD13 ' CD1' ' A' ' 51' ' ' TRP . 3.0 tt -57.17 -43.2 82.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 52.5 p -53.73 -29.05 37.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -50.07 -41.61 48.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.87 -36.41 67.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.549 HD13 ' CE2' ' A' ' 87' ' ' TYR . 84.7 mt -60.9 -42.17 97.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.6 mmm-85 -76.99 -20.26 56.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -87.99 -14.55 38.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.446 ' CD1' ' HB ' ' A' ' 77' ' ' ILE . 4.7 m-85 -78.18 -16.0 58.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.519 ' CD2' ' HD2' ' A' ' 80' ' ' ARG . 24.1 m-85 -71.86 -13.33 61.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.929 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -85.27 -35.98 21.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.6 p -91.23 -18.33 24.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.169 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.81 -2.84 60.42 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.446 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 4.6 mm -55.42 -44.17 74.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.865 0.364 . . . . 0.0 111.128 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.6 mt -114.73 165.21 13.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -124.43 111.89 16.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.519 ' HD2' ' CD2' ' A' ' 73' ' ' TYR . 1.3 ttt180 -48.0 133.35 14.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 38.9 t -124.74 141.31 45.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.18 43.32 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -135.06 173.47 11.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -103.16 131.29 50.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.8 mp 56.44 34.07 23.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 85.3 t -136.46 114.96 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.549 ' CE2' HD13 ' A' ' 69' ' ' LEU . 8.4 m-85 -118.82 173.81 6.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.4 ' CE ' ' O ' ' A' ' 36' ' ' GLN . 22.6 tttt -151.84 132.62 14.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -74.88 124.79 27.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.25 -147.57 0.24 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.507 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.5 -25.5 18.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -61.54 -35.07 76.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.34 153.06 44.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -138.33 167.74 21.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.68 -42.16 2.8 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.524 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.521 ' CZ2' ' HG3' ' A' ' 97' ' ' GLN . 35.9 p-90 -75.03 -38.38 61.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.707 0.289 . . . . 0.0 110.956 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.521 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 4.8 mt-30 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 14' ' ' PHE . 6.9 tp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.808 0.337 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.49 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 22.8 p-90 -40.62 -39.68 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.49 ' HG2' ' CH2' ' A' ' 12' ' ' TRP . 0.4 OUTLIER -70.37 -40.66 73.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.7 t80 -63.82 -54.81 29.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.9 p -62.49 -37.17 78.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.47 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 1.0 OUTLIER -64.26 -41.43 96.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 21' ' ' SER . 8.3 t0 -54.93 -51.13 67.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.3 mp -45.58 -44.46 12.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.469 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 24.9 mt -58.53 -38.48 77.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mt -93.24 -9.77 37.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 17' ' ' ASP . 2.1 m -114.08 81.24 6.09 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.643 0.735 . . . . 0.0 110.825 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -5.43 16.21 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.655 2.237 . . . . 0.0 112.317 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -87.06 -24.6 24.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.39 -45.93 4.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -62.22 120.73 11.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.2 87.34 2.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 48.59 36.36 18.01 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.449 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.0 mt -98.45 -26.66 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 111.115 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.2 mt -142.01 168.36 19.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.459 ' CG ' ' HB3' ' A' ' 40' ' ' ARG . 0.6 OUTLIER -146.77 153.97 40.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.469 ' CE2' ' HB3' ' A' ' 19' ' ' LEU . 8.9 m95 -95.6 114.75 26.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -94.84 -17.16 22.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -172.72 105.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.431 ' HD3' ' CG ' ' A' ' 31' ' ' TRP . 1.2 mmt85 -70.41 -34.01 72.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -63.06 -57.17 11.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.37 -31.13 48.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.0 25.41 14.6 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.486 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.2 mt -80.48 134.68 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.907 0.384 . . . . 0.0 111.135 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.455 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 33.7 p90 -136.58 155.86 49.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.459 ' HB3' ' CG ' ' A' ' 30' ' ' GLU . 27.7 ttt180 -121.46 145.2 48.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.437 ' N ' ' HG2' ' A' ' 40' ' ' ARG . 52.4 t -92.33 90.22 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.0 t -59.57 -48.92 85.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 43.9 mttm -111.02 90.33 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.464 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 90.6 p -64.57 -33.11 75.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -76.83 -38.14 54.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.36 -37.21 66.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 24.3 tp -56.76 -50.46 72.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.32 -52.23 49.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -45.48 -48.23 13.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.7 mmm -67.21 -44.54 79.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.4 ' CD1' HD13 ' A' ' 65' ' ' LEU . 23.1 t-105 -54.86 -54.48 41.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.36 -42.22 33.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.42 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -52.04 -34.58 43.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.777 0.323 . . . . 0.0 110.916 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.0 -33.8 63.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.24 10.49 39.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.8 mttt 43.69 29.48 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.503 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 52.0 t30 -69.9 -49.85 48.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 5.3 t0 83.73 -33.42 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -106.73 28.8 7.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 47.6 tpp -77.95 137.58 38.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 62' ' ' TYR . 1.4 t -154.39 140.9 18.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.173 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.464 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 6.5 t80 -37.19 -41.98 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.907 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -50.86 -46.24 60.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -83.59 -43.11 16.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.4 HD13 ' CD1' ' A' ' 51' ' ' TRP . 2.7 tt -51.39 -48.73 62.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.967 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.0 m -45.3 -36.58 4.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.446 ' CG ' ' N ' ' A' ' 68' ' ' ALA . 2.1 ptm180 -41.89 -44.8 3.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.832 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.446 ' N ' ' CG ' ' A' ' 67' ' ' ARG . . . -73.5 -34.63 65.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.9 mt -63.18 -38.53 91.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.567 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 4.2 mmt-85 -84.09 -13.85 51.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -92.22 -16.8 25.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.433 ' CB ' ' HB2' ' A' ' 78' ' ' LEU . 9.5 m-85 -75.73 -15.91 60.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.919 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.567 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 20.6 m-85 -70.77 -17.22 62.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.942 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -86.93 -29.64 21.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 37.9 p -96.37 -8.13 33.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.42 -17.22 49.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.497 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.0 mm -43.51 -46.94 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.935 0.397 . . . . 0.0 111.155 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.433 ' HB2' ' CB ' ' A' ' 72' ' ' TYR . 12.5 mt -113.81 169.36 9.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.15 124.65 43.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.494 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -62.41 128.43 35.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.8 t -124.71 140.67 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -85.88 25.86 1.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -109.85 174.21 5.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -102.33 129.61 48.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.1 mp 54.0 32.44 15.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.963 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 51.5 t -130.88 121.17 49.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.1 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.403 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 6.4 m-85 -125.0 170.62 10.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.5 tttm -148.94 138.54 21.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.47 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 99.3 m-85 -79.03 127.92 32.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -74.35 -146.74 1.17 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.542 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.06 -19.16 20.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.777 0.322 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -67.67 -32.15 72.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.57 164.82 26.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -156.76 146.01 20.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 124.29 -40.24 1.97 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.52 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.541 ' CD2' ' N ' ' A' ' 97' ' ' GLN . 62.5 p-90 -81.28 -52.95 6.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.742 0.306 . . . . 0.0 110.944 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.541 ' N ' ' CD2' ' A' ' 96' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.478 HD23 ' CD2' ' A' ' 51' ' ' TRP . 1.8 tm? . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 72' ' ' TYR . 14.6 p-90 -45.22 -35.94 3.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.486 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.9 OUTLIER -75.4 -36.42 60.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.893 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -63.97 -55.7 20.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.4 p -58.9 -38.56 73.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 2.6 ttp180 -68.59 -54.65 15.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.517 ' N ' ' HE ' ' A' ' 16' ' ' ARG . 14.2 t70 -47.44 -38.48 13.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.433 HD21 ' CE ' ' A' ' 50' ' ' MET . 9.9 mt -55.9 -39.41 71.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.471 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 8.3 mt -64.92 -41.59 95.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.2 mt -80.37 -15.71 56.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.0 m -114.98 81.61 7.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 110.824 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -9.78 26.95 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.648 2.232 . . . . 0.0 112.377 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -79.5 -29.38 41.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.02 -38.28 8.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.425 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . 17.6 t30 -77.49 128.3 33.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.32 87.09 2.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.59 43.88 37.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.511 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.6 mt -96.18 -31.38 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 111.122 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 mt -135.18 170.5 15.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.448 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 0.7 OUTLIER -137.96 142.52 40.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.471 ' CE2' ' HB3' ' A' ' 19' ' ' LEU . 8.7 m95 -90.84 92.86 8.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -74.77 -31.19 61.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -162.4 105.53 1.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -41.43 77.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.64 -50.66 71.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -75.67 -35.13 60.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.947 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.429 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 96.73 28.57 8.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.494 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 45.5 mt -91.0 135.28 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.905 0.383 . . . . 0.0 111.133 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -138.09 150.31 46.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -111.45 144.98 39.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.838 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.8 t -89.51 81.18 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.448 ' CG2' ' HG3' ' A' ' 30' ' ' GLU . 99.7 t -50.93 -53.91 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -114.35 92.66 4.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.6 p -64.97 -29.89 70.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -79.09 -39.13 34.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.25 -37.04 74.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.088 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 27.6 tp -60.57 -46.91 88.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.3 -48.33 61.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -50.7 -47.05 59.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.433 ' CE ' HD21 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -69.1 -43.24 74.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.846 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.478 ' CD2' HD23 ' A' ' 11' ' ' LEU . 26.7 t-105 -57.12 -49.22 76.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.469 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -50.04 -49.02 37.62 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -49.85 -35.69 24.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.329 . . . . 0.0 110.909 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -69.91 -34.76 73.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.79 14.41 32.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 52.0 31.86 9.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.443 ' OD1' ' C ' ' A' ' 59' ' ' ARG . 32.1 t-20 -96.9 81.68 3.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -51.09 -22.71 2.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.443 ' C ' ' OD1' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -105.11 40.04 1.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.902 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.469 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 42.0 tpp -87.64 131.39 34.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.3 t -151.54 150.72 30.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.149 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -42.29 -38.31 1.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -54.29 -41.18 68.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -87.67 -41.48 13.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.447 HD12 ' CD1' ' A' ' 51' ' ' TRP . 5.9 tt -54.82 -41.62 70.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.4 p -54.82 -31.44 59.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.14 -38.43 5.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.496 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -79.29 -33.97 42.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.066 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.406 HD13 ' CE2' ' A' ' 87' ' ' TYR . 90.8 mt -61.21 -43.26 99.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.425 ' HA ' ' CD2' ' A' ' 73' ' ' TYR . 2.0 mmt180 -79.79 -24.13 41.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.561 ' O ' ' CD1' ' A' ' 71' ' ' TYR . 26.2 t80 -84.19 -7.82 59.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 12' ' ' TRP . 6.9 m-85 -85.44 -17.36 36.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.553 ' CE1' ' HB3' ' A' ' 78' ' ' LEU . 39.8 m-85 -77.48 -11.17 59.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -77.01 -44.0 32.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.924 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.2 p -88.73 -30.31 19.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.417 ' C ' ' HB2' ' A' ' 92' ' ' ASN . . . 118.88 -3.54 14.61 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.5 mm -49.71 -48.73 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 111.122 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.553 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 11.8 mt -111.82 164.21 13.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -120.27 111.61 18.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.402 ' N ' ' CE1' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -45.07 113.33 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.438 HG12 ' N ' ' A' ' 82' ' ' ASP . 45.2 t -103.08 145.04 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.438 ' N ' HG12 ' A' ' 81' ' ' VAL . 5.0 m-20 -102.89 38.49 1.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.53 -176.9 3.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.66 118.48 32.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.6 mm? 45.9 41.01 7.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 97.4 t -131.04 110.82 18.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.406 ' CE2' HD13 ' A' ' 69' ' ' LEU . 11.1 m-85 -108.27 172.12 7.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -151.93 137.41 17.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 93.9 m-85 -77.68 132.86 38.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.844 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.37 -146.71 3.78 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.445 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.7 pttt -95.43 -25.23 16.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.798 0.332 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.417 ' HB2' ' C ' ' A' ' 76' ' ' GLY . 0.9 OUTLIER -59.19 -37.02 76.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.78 177.5 4.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -162.54 177.68 9.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.96 -42.65 2.86 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.493 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.429 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 43.7 p-90 -83.15 -42.1 17.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.731 0.301 . . . . 0.0 110.925 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.429 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 14' ' ' PHE . 7.1 tt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.79 0.329 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.567 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 28.5 p-90 -40.02 -32.3 0.16 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.567 ' HG2' ' CH2' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -82.39 -37.55 25.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.476 ' CD2' ' N ' ' A' ' 15' ' ' VAL . 2.3 t80 -57.05 -60.87 2.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.476 ' N ' ' CD2' ' A' ' 14' ' ' PHE . 3.0 p -60.92 -39.7 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.23 -41.66 84.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 21' ' ' SER . 7.1 t70 -53.39 -51.69 61.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.6 mp -44.82 -42.33 7.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.48 HD13 ' CH2' ' A' ' 31' ' ' TRP . 53.4 mt -61.81 -39.47 91.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 mt -92.06 -6.55 50.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 17' ' ' ASP . 2.3 m -121.56 82.37 40.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.657 0.741 . . . . 0.0 110.851 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -9.35 25.92 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.711 2.274 . . . . 0.0 112.337 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -81.53 -26.51 35.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.89 -44.98 5.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -66.24 124.19 22.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.825 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.3 t -115.24 86.59 2.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.82 30.16 14.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.7 mt -87.48 -30.32 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 111.123 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mt -137.47 172.57 12.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -145.96 145.41 30.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.48 ' CH2' HD13 ' A' ' 19' ' ' LEU . 8.0 m95 -89.8 100.97 13.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -81.76 -24.42 36.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -166.31 104.86 0.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.456 ' HD2' ' CD2' ' A' ' 31' ' ' TRP . 55.2 mmm-85 -69.14 -33.01 72.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -69.4 -50.83 42.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -78.3 -29.02 47.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.554 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 91.94 22.19 31.2 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.503 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 22.6 mt -83.38 137.42 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 111.102 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.671 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 37.9 p90 -139.98 152.65 46.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.3 ttt85 -112.28 148.62 33.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 85.4 t -97.25 79.23 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.2 t -48.93 -47.27 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -116.46 93.65 4.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.458 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 93.4 p -66.91 -27.51 67.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -79.15 -40.16 31.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.12 -36.87 77.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.7 tp -61.72 -41.66 97.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.51 -47.13 50.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -53.89 -49.58 68.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.1 -54.55 39.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.551 ' CD1' HD13 ' A' ' 65' ' ' LEU . 23.1 t-105 -48.8 -54.46 15.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.465 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -47.08 -44.86 19.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.467 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -54.15 -33.8 58.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.811 0.338 . . . . 0.0 110.899 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -70.79 -36.16 72.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.99 10.97 37.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 57.13 23.63 8.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -94.27 92.81 7.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -62.44 -19.22 63.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -101.13 33.57 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.465 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 50.5 tpp -83.78 131.98 34.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.0 t -150.19 146.42 26.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.458 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 3.4 t80 -39.67 -45.63 1.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -51.16 -41.27 60.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -82.97 -46.51 12.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.551 HD13 ' CD1' ' A' ' 51' ' ' TRP . 4.3 tt -50.94 -46.46 60.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 94.4 p -44.64 -33.62 1.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.815 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.418 ' CG ' ' N ' ' A' ' 68' ' ' ALA . 2.9 ptt-85 -46.58 -43.15 16.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.418 ' N ' ' CG ' ' A' ' 67' ' ' ARG . . . -74.67 -34.61 62.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.425 HD12 ' CD2' ' A' ' 65' ' ' LEU . 59.2 mt -63.77 -43.01 97.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.571 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -74.8 -19.88 60.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -87.46 -15.35 37.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 12' ' ' TRP . 8.6 m-85 -79.41 -10.48 59.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.571 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 23.2 m-85 -72.57 -55.24 7.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.01 -43.15 73.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.0 p -74.2 -20.73 60.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 95.47 -11.51 68.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.517 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 14.9 mm -50.72 -42.69 23.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.883 0.373 . . . . 0.0 111.105 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.444 ' HB2' ' CB ' ' A' ' 72' ' ' TYR . 11.3 mt -115.15 166.47 11.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.45 122.59 38.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -50.3 130.92 23.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' ' 82' ' ' ASP . 32.9 t -121.91 141.38 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.428 ' N ' HG13 ' A' ' 81' ' ' VAL . 92.8 m-20 -102.21 33.23 3.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.43 177.75 4.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -93.44 123.91 37.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.469 HD13 ' N ' ' A' ' 85' ' ' LEU . 7.7 mp 48.47 36.56 7.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 t -127.46 115.06 38.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.171 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -116.06 170.86 8.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -148.9 130.19 14.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.671 ' CE2' ' CE1' ' A' ' 39' ' ' PHE . 98.6 m-85 -73.29 130.21 39.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -74.64 -158.88 6.49 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.69 -32.28 25.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.776 0.322 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -57.51 -35.05 69.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.41 104.88 7.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.064 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -104.27 120.9 42.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 159.03 -37.23 0.5 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.554 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 62.9 p-90 -86.16 -52.81 5.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.729 0.3 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.42 ' N ' ' CG ' ' A' ' 96' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 14' ' ' PHE . 34.4 tp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.81 0.338 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.55 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 17.1 p-90 -40.11 -38.31 0.73 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.55 ' HG2' ' CH2' ' A' ' 12' ' ' TRP . 0.5 OUTLIER -72.44 -41.32 66.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.4 t80 -63.63 -50.96 67.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -63.15 -30.38 49.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 1.6 ttp180 -75.81 -47.43 25.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.05 -29.47 30.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.46 ' CD2' ' HB2' ' A' ' 25' ' ' ASN . 8.1 mt -66.0 -44.41 84.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.453 HD21 ' CE2' ' A' ' 31' ' ' TRP . 7.1 mt -59.0 -35.1 72.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.3 mt -86.82 -13.0 46.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.5 m -116.77 80.81 11.18 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.656 0.741 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -5.95 17.43 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.321 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -85.22 -25.3 27.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.12 -39.46 7.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.46 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . 11.1 t30 -77.16 130.99 38.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.85 86.57 2.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 48.26 37.64 18.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.1 mt -91.6 -23.85 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.87 0.367 . . . . 0.0 111.122 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.2 mt -141.81 167.23 22.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -139.65 149.63 43.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.453 ' CE2' HD21 ' A' ' 19' ' ' LEU . 9.9 m95 -96.13 98.02 10.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -79.57 -25.48 41.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -167.84 102.5 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.8 tpt85 -68.01 -39.2 83.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.2 -49.62 76.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -79.09 -32.0 44.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.08 27.25 11.16 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.459 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 29.2 mt -88.72 140.22 16.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.906 0.384 . . . . 0.0 111.112 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.443 ' CZ ' ' HB2' ' A' ' 87' ' ' TYR . 22.8 p90 -142.42 153.15 43.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -115.67 144.49 43.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.7 t -91.53 84.17 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.9 t -55.04 -52.37 44.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -111.2 90.79 3.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.563 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 89.1 p -65.03 -29.54 70.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -73.03 -50.08 25.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.59 -37.76 88.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 32.1 tp -55.67 -53.1 60.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.417 ' CB ' ' N ' ' A' ' 62' ' ' TYR . . . -66.05 -50.44 64.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.65 -48.44 49.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.9 mmm -66.37 -46.05 78.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 23.6 t-105 -54.21 -51.76 63.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.25 -46.57 34.89 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.476 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -50.63 -30.87 14.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.79 0.329 . . . . 0.0 110.901 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -74.53 -37.39 63.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -93.97 3.35 55.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.42 47.36 14.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.502 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 47.3 t-20 -91.52 -43.93 9.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 6.4 t0 83.71 -33.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.414 ' O ' ' NZ ' ' A' ' 64' ' ' LYS . 21.3 mtt-85 -104.91 33.93 3.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 48.6 tpp -84.16 132.81 34.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 62' ' ' TYR . 6.8 t -150.84 143.4 24.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.563 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 6.4 t80 -34.77 -42.46 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.47 -49.78 54.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.414 ' NZ ' ' O ' ' A' ' 59' ' ' ARG . 8.9 mttt -79.78 -42.78 23.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.8 tt -52.12 -40.83 61.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 54.7 p -54.22 -30.37 49.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.844 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -48.03 -39.62 20.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.591 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -75.65 -35.66 60.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.54 ' HB3' ' CE2' ' A' ' 87' ' ' TYR . 44.3 mt -63.68 -41.08 98.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.569 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -84.65 -20.85 30.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.528 ' CE1' ' HD2' ' A' ' 74' ' ' LYS . 15.7 t80 -83.94 -12.99 54.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.591 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 10.9 m-85 -83.27 -20.1 35.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.569 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 21.3 m-85 -63.45 -40.9 98.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.528 ' HD2' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -62.53 -36.47 82.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.0 p -87.88 -17.54 31.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.158 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.64 -20.35 48.97 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.517 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.0 mm -38.41 -45.48 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 111.102 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.453 ' HB2' ' CB ' ' A' ' 72' ' ' TYR . 0.8 OUTLIER -109.18 -177.4 3.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 88' ' ' LYS . 0.4 OUTLIER -125.05 128.03 47.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -70.0 101.52 1.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 51.3 t -106.72 137.28 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -94.49 44.25 1.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -117.77 -174.36 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -97.2 119.55 35.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.464 HD11 ' N ' ' A' ' 85' ' ' LEU . 9.7 mp 44.0 41.91 4.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 41.6 t -126.77 108.82 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.54 ' CE2' ' HB3' ' A' ' 69' ' ' LEU . 10.5 m-85 -113.51 168.52 9.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 79' ' ' GLU . 6.7 tttm -151.89 137.52 17.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 89.5 m-85 -74.69 123.84 25.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.49 -147.45 0.26 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.22 -22.17 18.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.782 0.325 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -67.28 -30.59 70.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.73 130.07 40.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 27.2 p80 -128.55 125.18 37.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 145.5 -43.13 0.94 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.573 ' CD2' ' N ' ' A' ' 97' ' ' GLN . 65.7 p-90 -80.69 -54.05 5.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.699 0.285 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.573 ' N ' ' CD2' ' A' ' 96' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.504 HD21 ' CD2' ' A' ' 51' ' ' TRP . 1.8 tm? . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.768 0.318 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 30.4 p-90 -49.86 -39.6 39.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.07 -34.96 75.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.522 ' CE1' ' HB2' ' A' ' 51' ' ' TRP . 2.2 t80 -66.65 -51.81 51.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.4 p -64.37 -37.13 79.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.55 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 8.3 ttp180 -71.07 -47.48 58.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -50.99 -40.04 57.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.448 ' CD2' ' HB2' ' A' ' 25' ' ' ASN . 14.6 mt -51.42 -41.45 60.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.45 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . 3.8 mt -64.98 -41.35 95.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.3 mt -79.78 -19.14 49.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.3 m -113.61 80.59 4.96 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.59 0.709 . . . . 0.0 110.853 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -13.49 34.83 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.726 2.284 . . . . 0.0 112.355 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -74.47 -28.4 61.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.88 -44.36 5.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.448 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . 24.1 t30 -69.03 127.28 32.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.23 85.16 2.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 52.94 38.16 54.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 53.4 mt -89.81 -35.61 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.902 0.382 . . . . 0.0 111.143 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 mt -132.58 172.6 12.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.444 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 1.0 OUTLIER -145.31 143.63 30.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.901 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.498 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 11.2 m95 -88.63 96.35 10.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.941 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -77.2 -26.22 52.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -166.25 106.28 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.498 ' HD3' ' CG ' ' A' ' 31' ' ' TRP . 5.0 mmm180 -68.11 -42.77 79.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -60.39 -51.97 67.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -75.57 -32.46 60.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.8 26.54 16.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.0 mt -87.68 135.77 24.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.827 0.346 . . . . 0.0 111.174 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.491 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 34.8 p90 -137.09 148.9 47.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -110.14 142.55 41.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.9 t -91.55 83.2 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.444 ' CG2' ' HG3' ' A' ' 30' ' ' GLU . 58.7 t -54.38 -49.6 63.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -113.22 104.28 12.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 97.7 p -78.84 -22.23 46.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -85.4 -30.43 23.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.835 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.16 -38.39 36.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 29.9 tp -61.8 -42.39 98.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.04 -47.72 34.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.055 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.6 mttp -53.59 -50.96 64.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.415 ' CE ' HD23 ' A' ' 18' ' ' LEU . 1.1 mmm -65.34 -44.09 88.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.522 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 22.1 t-105 -56.06 -50.4 71.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.471 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -50.23 -46.43 43.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.499 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -52.24 -30.86 29.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.8 0.333 . . . . 0.0 110.896 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -72.53 -39.59 67.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.72 11.28 34.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.37 32.36 20.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.481 ' OD1' ' N ' ' A' ' 59' ' ' ARG . 32.0 t-20 -100.63 89.43 3.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.91 -15.04 10.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.481 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 1.7 mtt180 -108.96 36.59 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.471 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 47.9 tpp -84.91 135.93 33.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.0 t -154.96 150.29 27.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -41.33 -46.12 3.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -47.86 -39.96 20.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -87.51 -47.84 8.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 tt -49.35 -39.79 33.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.9 m -57.44 -31.25 65.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -45.38 -40.24 7.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.43 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -78.35 -32.93 49.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.8 mt -65.99 -40.53 91.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.525 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -82.66 -18.06 42.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.473 ' O ' ' CD1' ' A' ' 71' ' ' TYR . 19.6 t80 -87.51 -17.45 32.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.457 ' CD1' ' HB ' ' A' ' 77' ' ' ILE . 7.2 m-85 -77.86 -17.31 57.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.525 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 25.7 m-85 -69.18 -3.2 12.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -98.87 -36.0 9.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.925 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.2 p -92.36 -8.45 44.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.3 -18.86 53.13 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.478 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.457 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 3.6 mm -39.08 -45.46 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.891 0.376 . . . . 0.0 111.152 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.3 mt -117.71 166.17 12.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.949 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -118.86 117.02 27.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.433 ' HA ' ' CE1' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -52.49 115.99 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 -179.892 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.8 t -106.14 147.13 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.43 39.73 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.1 mtp85 -129.1 179.01 6.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.4 ttt85 -98.6 132.08 44.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.1 mp 43.88 42.59 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 86.1 t -140.3 104.45 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -109.97 171.88 7.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -149.3 126.54 11.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.55 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 95.5 m-85 -68.17 133.14 48.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -78.19 -150.6 4.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.42 -15.97 25.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.339 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.06 -32.81 72.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.19 140.46 40.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.095 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -124.3 149.13 46.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 116.95 -39.64 2.61 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.491 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.446 ' CZ2' ' HG3' ' A' ' 97' ' ' GLN . 29.5 p-90 -82.53 -42.26 18.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.745 0.307 . . . . 0.0 110.94 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.446 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.457 HD22 ' CD2' ' A' ' 69' ' ' LEU . 8.6 tp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.76 0.314 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.52 ' CZ2' ' HG3' ' A' ' 13' ' ' GLU . 17.8 p-90 -40.25 -36.95 0.58 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.52 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.7 OUTLIER -75.45 -40.76 57.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.7 t80 -60.43 -49.96 75.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.8 p -68.52 -38.58 79.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.162 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 1.6 ttp180 -65.22 -38.66 91.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -57.46 -45.48 84.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.9 mp -49.53 -43.39 45.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.507 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 19.2 mt -59.13 -31.24 68.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mt -99.61 -6.95 26.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -118.73 82.09 19.76 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.691 0.758 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -6.66 19.15 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.713 2.275 . . . . 0.0 112.322 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -83.75 -28.54 28.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.36 -43.88 5.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -66.39 123.05 18.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.6 t -114.76 88.28 2.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 46.13 34.0 5.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.6 mt -90.01 -36.29 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.854 0.359 . . . . 0.0 111.137 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.9 mt -130.63 169.82 15.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -145.42 147.73 32.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.518 ' CD2' ' HD2' ' A' ' 34' ' ' ARG . 9.2 m95 -90.47 102.0 14.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.72 -31.86 46.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -166.82 90.69 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.838 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.518 ' HD2' ' CD2' ' A' ' 31' ' ' TRP . 2.7 tpt180 -51.35 -34.63 34.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -67.81 -46.99 70.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -84.98 -3.85 58.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.437 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 63.56 24.1 67.52 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 59.8 mt -88.97 125.37 42.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 111.135 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.403 ' CZ ' ' HB2' ' A' ' 87' ' ' TYR . 13.8 p90 -128.4 160.27 32.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -122.11 153.86 38.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.4 t -102.83 86.0 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.2 t -55.07 -38.76 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.2 mttm -118.37 112.65 20.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.558 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 87.5 p -88.66 -20.09 25.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.33 -29.35 18.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.19 -32.42 29.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 28.7 tp -61.13 -50.46 73.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.436 ' HB2' ' N ' ' A' ' 62' ' ' TYR . . . -64.24 -46.74 82.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.073 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.3 mttp -53.16 -49.64 66.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.1 mmm -60.56 -45.48 93.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.892 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 30.0 t-105 -58.15 -54.78 43.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.468 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -43.62 -42.29 5.92 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -53.41 -41.66 66.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.453 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 15.4 mmm180 -68.27 -34.5 76.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -101.77 18.3 20.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER 36.44 33.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.895 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' LYS . 26.1 t-20 -96.42 93.26 6.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -59.66 -10.73 3.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.419 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 3.1 mmt180 -106.28 21.36 17.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.468 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 39.8 tpp -73.21 136.11 44.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 64' ' ' LYS . 2.4 p -153.23 144.99 23.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.558 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 7.4 t80 -41.92 -29.75 0.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.64 -42.13 78.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 61' ' ' THR . 2.8 mtpp -82.33 -29.6 30.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.3 tt -69.48 -42.55 74.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.1 m -61.49 -22.61 65.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.5 ptt180 -50.49 -33.55 21.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -86.53 -26.72 24.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.457 ' CD2' HD22 ' A' ' 11' ' ' LEU . 98.3 mt -64.89 -35.56 81.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.556 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -86.16 -25.92 25.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -75.93 -15.22 60.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.935 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.441 ' CD1' ' HB ' ' A' ' 77' ' ' ILE . 8.2 m-85 -78.23 -18.75 54.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.929 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.556 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 23.6 m-85 -68.99 -14.11 62.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.9 mtpp -86.97 -40.2 15.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 29.0 p -86.66 -14.93 41.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.62 -12.99 65.91 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.441 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 9.7 mm -44.42 -46.21 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.866 0.365 . . . . 0.0 111.085 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.2 mt -113.92 172.44 6.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -125.75 125.33 42.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.06 122.52 13.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.5 t -114.91 145.94 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.02 28.72 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.889 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -135.29 136.77 41.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 86' ' ' VAL . 6.8 ptt-85 -67.95 161.46 26.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 84' ' ' ARG . 8.6 mp 37.02 30.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.469 ' N ' ' O ' ' A' ' 84' ' ' ARG . 70.9 t -137.76 107.1 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.403 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 16.6 m-85 -114.74 168.3 10.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -149.67 127.6 11.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 97.6 m-85 -67.56 135.09 52.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -81.22 -147.07 5.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.462 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.68 -24.38 19.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.83 0.348 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -64.68 -31.57 72.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.32 153.91 39.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.1 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -139.81 166.54 24.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 96.39 -39.22 2.87 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.437 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 23.3 p-90 -85.43 -36.53 20.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.68 0.276 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.922 -179.959 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 14' ' ' PHE . 26.4 tp . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.823 0.344 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.546 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 29.5 p-90 -40.19 -35.15 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.546 ' HG2' ' CH2' ' A' ' 12' ' ' TRP . 1.0 OUTLIER -75.46 -38.88 59.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -64.24 -52.82 56.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.431 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 6.2 p -63.36 -36.06 74.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.494 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 4.1 ttp180 -69.17 -47.85 63.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -53.15 -33.58 53.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.434 ' CD2' ' HB2' ' A' ' 25' ' ' ASN . 16.4 mt -63.55 -46.36 86.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.478 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 13.0 mt -59.71 -30.98 69.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.7 mt -90.94 -15.82 29.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.9 m -114.7 81.31 7.06 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.628 0.728 . . . . 0.0 110.817 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -2.29 9.94 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -88.52 -25.6 22.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.35 -41.63 6.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.434 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . 7.1 t30 -72.94 132.44 43.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.412 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 1.8 t -116.44 88.22 2.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 45.57 42.28 10.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.458 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.493 ' CD1' ' SD ' ' A' ' 50' ' ' MET . 23.1 mt -95.1 -29.85 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 111.129 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 mt -141.93 168.18 20.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -139.8 147.53 40.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.478 ' CE2' ' HB3' ' A' ' 19' ' ' LEU . 10.5 m95 -86.77 102.18 14.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 3.3 mm-40 -80.62 -29.87 36.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.547 ' CG ' ' NE2' ' A' ' 36' ' ' GLN . 47.4 m-20 -162.06 104.22 1.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.5 mmm-85 -65.95 -41.62 91.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -54.63 38.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.547 ' NE2' ' CG ' ' A' ' 33' ' ' ASP . 17.1 mt-30 -75.11 -26.49 59.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.435 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 85.93 25.53 37.53 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.481 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 38.4 mt -86.78 138.26 19.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.885 0.374 . . . . 0.0 111.09 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 14.9 p90 -142.32 158.24 43.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.9 ttt180 -119.36 143.04 47.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.819 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.9 t -87.52 85.92 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.8 t -55.19 -50.43 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -111.69 85.45 2.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.515 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 81.1 p -64.22 -16.08 61.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -84.65 -53.39 5.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.32 -30.46 71.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.447 HD21 ' CE1' ' A' ' 62' ' ' TYR . 8.6 tp -60.65 -49.3 78.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.93 -50.99 60.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -49.8 -50.61 44.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.493 ' SD ' ' CD1' ' A' ' 28' ' ' ILE . 60.3 mtp -60.63 -49.19 78.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.445 ' CD1' HD12 ' A' ' 65' ' ' LEU . 26.9 t-105 -53.41 -47.39 69.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.456 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -52.13 -46.37 56.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.538 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -53.8 -30.65 45.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.792 0.329 . . . . 0.0 110.915 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -74.49 -40.03 62.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.39 5.18 52.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 52' ' ' GLY . 8.0 mtmt 60.08 29.67 19.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -97.0 85.46 3.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.79 -19.19 3.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -103.44 32.22 3.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.456 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 46.1 tpp -79.45 131.91 36.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.6 t -152.02 138.54 18.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.078 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.515 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 4.0 t80 -38.86 -35.88 0.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -56.88 -45.15 82.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -84.98 -39.91 17.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.445 HD12 ' CD1' ' A' ' 51' ' ' TRP . 4.7 tt -55.44 -45.43 76.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 64.0 p -50.83 -32.48 20.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.41 -41.28 13.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.01 -32.24 61.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.072 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.441 ' HA ' ' CD1' ' A' ' 78' ' ' LEU . 57.2 mt -65.43 -33.36 75.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.553 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 4.7 mmm180 -87.89 -20.95 25.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -83.63 -21.44 32.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -70.68 -28.53 64.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.553 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 24.8 m-85 -57.95 -28.38 64.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -68.79 -37.2 79.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.1 p -90.77 -23.83 20.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.19 -22.18 27.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.468 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 25.2 mm -38.24 -45.06 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.369 . . . . 0.0 111.125 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.468 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 9.9 mt -111.93 165.93 11.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -119.72 123.09 42.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.41 125.03 16.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 82' ' ' ASP . 92.8 t -123.31 138.42 53.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.405 ' N ' HG12 ' A' ' 81' ' ' VAL . 1.1 m-20 -101.67 30.65 4.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.07 175.85 5.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -84.45 121.31 27.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.8 mp 41.94 40.84 1.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 75.2 t -121.92 110.49 27.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -114.38 168.18 10.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -150.55 136.51 18.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 92.9 m-85 -74.47 124.87 27.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -71.47 -155.85 2.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.45 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.19 -22.57 22.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.81 -34.83 79.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.95 162.28 29.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -146.49 178.78 8.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.85 -35.67 4.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.5 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.435 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 41.4 p-90 -88.11 -41.96 12.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.733 0.302 . . . . 0.0 110.942 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 tp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.805 0.336 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.5 ' CZ2' ' HG3' ' A' ' 13' ' ' GLU . 17.6 p-90 -41.78 -36.85 1.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.5 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -76.61 -41.22 46.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -61.11 -57.87 10.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 16' ' ' ARG . 7.3 p -58.55 -40.38 78.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.511 ' HB2' ' CE1' ' A' ' 89' ' ' PHE . 4.9 ttp180 -62.29 -43.46 98.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.57 -51.05 61.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.9 mp -44.81 -44.58 9.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.48 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 41.3 mt -57.56 -36.51 71.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.7 mt -94.61 -6.13 44.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -120.42 82.2 31.85 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.638 0.732 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -10.71 29.24 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.256 . . . . 0.0 112.364 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -79.84 -24.73 41.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.39 -45.22 4.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -65.24 119.88 11.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.11 85.34 2.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.55 37.02 25.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.45 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.0 mt -97.42 -23.21 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.874 0.368 . . . . 0.0 111.15 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.2 mt -142.27 167.77 21.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -146.76 146.97 30.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.48 ' CZ2' HD13 ' A' ' 19' ' ' LEU . 7.6 m95 -90.44 98.83 12.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -77.67 -30.76 52.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.87 105.47 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -40.38 83.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -54.02 50.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -76.17 -30.09 57.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.481 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 91.27 27.2 18.94 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.443 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.7 mt -88.98 132.94 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.895 0.379 . . . . 0.0 111.116 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.54 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 33.6 p90 -131.68 158.55 40.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.422 ' HG2' ' N ' ' A' ' 41' ' ' VAL . 43.3 ttt180 -118.82 149.96 40.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.422 ' N ' ' HG2' ' A' ' 40' ' ' ARG . 99.1 t -99.63 84.11 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.4 t -53.55 -47.69 59.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.9 mttm -114.45 104.61 12.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.525 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 83.6 p -76.88 -27.55 55.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -77.69 -43.61 30.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.63 -37.43 76.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.065 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 36.7 tp -56.22 -48.11 77.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.477 ' CB ' ' N ' ' A' ' 62' ' ' TYR . . . -70.72 -50.98 30.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.078 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.03 -48.32 43.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.4 mmm -66.03 -44.6 84.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.427 ' CD1' ' HE2' ' A' ' 60' ' ' MET . 24.2 t-105 -52.55 -54.61 30.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 56' ' ' LYS . . . -48.94 -47.94 31.32 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -48.97 -38.07 22.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.748 0.308 . . . . 0.0 110.877 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -71.7 -41.19 68.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.834 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.93 -2.71 58.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 52' ' ' GLY . 0.4 OUTLIER 52.34 30.82 8.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.841 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -58.67 -88.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -179.44 -55.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 60' ' ' MET . 0.8 OUTLIER -149.61 37.77 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 59' ' ' ARG . 31.0 tpp -34.51 140.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.897 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 63' ' ' GLU . 0.7 OUTLIER -138.96 141.69 38.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.186 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.525 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 8.4 t80 -37.4 -32.37 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.964 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 61' ' ' THR . 2.2 tt0 -61.05 -47.27 87.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 61' ' ' THR . 2.4 mtpp -80.86 -35.63 32.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.6 tt -62.33 -42.87 99.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.959 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.7 p -54.95 -31.08 60.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.46 ' CG ' ' N ' ' A' ' 68' ' ' ALA . 12.9 ptt180 -47.14 -45.61 22.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.46 ' N ' ' CG ' ' A' ' 67' ' ' ARG . . . -74.09 -38.64 63.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.505 HD11 ' CZ ' ' A' ' 87' ' ' TYR . 90.3 mt -51.6 -42.16 61.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.564 ' HA ' ' CD2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -83.68 -21.14 32.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -74.66 -26.56 59.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -69.25 -24.27 63.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.564 ' CD2' ' HA ' ' A' ' 70' ' ' ARG . 23.3 m-85 -61.97 -8.58 5.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -95.64 -27.46 15.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.6 p -98.66 -13.65 20.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.34 -20.64 49.43 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 13.9 mm -41.33 -45.95 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.888 0.375 . . . . 0.0 111.141 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.8 mt -114.68 172.29 7.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -129.97 125.48 35.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.65 129.65 43.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 82' ' ' ASP . 45.3 t -118.72 143.98 28.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.426 ' N ' HG12 ' A' ' 81' ' ' VAL . 2.5 m-20 -94.31 32.28 1.57 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.3 -175.13 2.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 21.5 ttp180 -106.74 127.91 53.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.2 mp 49.79 37.0 12.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 92.3 t -132.73 109.19 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.505 ' CZ ' HD11 ' A' ' 69' ' ' LEU . 34.4 m-85 -110.04 173.9 6.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -151.66 134.98 16.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.932 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.54 ' CE2' ' CD1' ' A' ' 39' ' ' PHE . 89.8 m-85 -77.02 124.19 27.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.844 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -71.13 -152.66 1.07 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.524 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.53 -25.64 20.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.78 0.324 . . . . 0.0 110.857 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.84 -34.41 73.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.406 ' HB2' ' CE3' ' A' ' 12' ' ' TRP . . . -77.74 138.45 39.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.083 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 31.5 p80 -129.57 119.64 23.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 160.65 -41.09 0.43 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.498 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.481 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 61.2 p-90 -84.93 -53.99 4.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.761 0.315 . . . . 0.0 110.893 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.451 ' N ' ' CG ' ' A' ' 96' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 14' ' ' PHE . 27.0 tp . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.82 0.343 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 72' ' ' TYR . 18.5 p-90 -40.79 -32.6 0.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.9 -39.9 33.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.437 ' CD1' ' N ' ' A' ' 15' ' ' VAL . 1.5 t80 -61.73 -57.32 12.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.437 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 6.2 p -58.33 -43.55 86.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.166 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.541 ' HB2' ' CE1' ' A' ' 89' ' ' PHE . 1.9 ttp180 -60.31 -37.33 80.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -57.92 -50.51 73.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.0 mp -44.28 -45.06 8.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.948 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.5 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 34.0 mt -58.72 -38.13 77.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.0 mt -92.07 -6.33 51.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.4 m -122.07 81.62 43.7 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.691 0.758 . . . . 0.0 110.823 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -5.61 16.6 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.683 2.255 . . . . 0.0 112.383 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -84.66 -26.27 27.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.7 -46.45 4.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -62.88 120.95 12.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.12 87.17 2.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.15 41.56 30.56 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.527 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.7 mt -100.46 -35.55 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.869 0.366 . . . . 0.0 111.126 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.5 mt -130.59 174.51 9.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.461 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 1.0 OUTLIER -147.97 142.86 26.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.5 ' CE2' ' HB3' ' A' ' 19' ' ' LEU . 5.9 m95 -87.18 93.21 9.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.95 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.66 -34.08 69.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -159.73 112.54 2.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.427 ' HB3' ' NH1' ' A' ' 34' ' ' ARG . 5.6 mmm180 -70.84 -40.05 72.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.58 -51.58 64.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -76.47 -34.53 58.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.442 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 93.47 24.61 20.89 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.429 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 12.5 mt -84.94 134.93 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.866 0.365 . . . . 0.0 111.132 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.494 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 49.5 p90 -134.55 151.15 50.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -112.17 145.57 39.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 92.9 t -91.15 84.04 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.461 ' CG2' ' HG3' ' A' ' 30' ' ' GLU . 68.2 t -53.04 -50.8 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -115.41 91.09 3.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.461 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 82.7 p -63.18 -23.88 67.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.836 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -80.71 -52.73 7.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.73 -32.86 72.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.116 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 34.1 tp -56.8 -51.41 69.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.12 -38.87 72.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.046 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.2 -49.04 75.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -65.56 -47.91 74.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 27.8 t-105 -52.88 -57.01 11.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.43 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -44.64 -44.17 8.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -57.88 -31.86 67.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.808 0.337 . . . . 0.0 110.901 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -73.16 -35.68 66.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.93 4.33 53.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.15 30.17 19.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -105.06 137.7 42.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.15 -4.82 28.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -106.37 24.45 12.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.43 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 39.9 tpp -79.89 134.22 36.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 62' ' ' TYR . 14.5 t -160.4 137.46 9.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.168 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.461 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 8.3 t80 -34.53 -43.65 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -49.78 -49.37 48.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 61' ' ' THR . 54.2 mttm -81.7 -42.86 19.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.0 tt -52.55 -38.79 60.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 69' ' ' LEU . 20.0 m -55.67 -34.73 65.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -43.85 -41.01 4.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.566 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -73.13 -31.81 64.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.046 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 66' ' ' SER . 85.4 mt -65.98 -37.01 84.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.42 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 3.2 mtt-85 -86.52 -21.25 27.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -82.7 -19.46 38.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.566 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 12.9 m-85 -73.62 -26.34 60.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.951 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.45 ' CD2' ' HD2' ' A' ' 80' ' ' ARG . 23.6 m-85 -59.42 -31.95 69.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.8 -44.85 88.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 46.3 p -84.55 -14.22 49.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 95.49 -14.58 64.75 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.5 mm -43.08 -40.6 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 111.129 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.6 mt -117.39 160.96 20.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.72 117.81 30.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.45 ' HD2' ' CD2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -46.44 129.37 10.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.445 ' CG1' ' O ' ' A' ' 86' ' ' VAL . 84.7 t -120.36 139.15 48.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.57 32.68 3.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -117.02 -175.53 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -97.9 120.95 39.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.466 ' N ' HD21 ' A' ' 85' ' ' LEU . 3.8 mm? 46.67 38.0 5.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.445 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 18.7 t -126.01 105.25 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.13 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -108.0 170.57 7.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -151.93 135.84 16.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.894 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.541 ' CE1' ' HB2' ' A' ' 16' ' ' ARG . 99.0 m-85 -73.74 134.59 43.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.836 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -81.0 -156.64 14.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -22.8 27.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.812 0.339 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -66.13 -30.77 71.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.447 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . . . -81.76 130.67 35.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -117.85 165.65 13.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 104.68 -42.1 1.98 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.442 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 47.1 p-90 -79.83 -40.16 29.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.699 0.285 . . . . 0.0 110.901 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.6 tp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.807 0.337 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.424 ' CZ2' ' HG3' ' A' ' 13' ' ' GLU . 10.6 p-90 -43.52 -31.51 0.73 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.424 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.7 OUTLIER -80.66 -39.45 27.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -64.88 -51.19 63.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.6 p -63.18 -34.11 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.429 ' HE ' ' N ' ' A' ' 17' ' ' ASP . 2.7 ttp180 -71.61 -48.28 49.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.832 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.429 ' N ' ' HE ' ' A' ' 16' ' ' ARG . 11.3 t70 -53.37 -36.18 61.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.46 HD23 ' CE ' ' A' ' 50' ' ' MET . 9.0 mt -57.76 -42.66 84.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.7 mt -62.84 -39.74 95.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.4 mt -81.91 -16.87 49.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.7 m -111.91 81.11 3.37 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.653 0.739 . . . . 0.0 110.832 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -3.56 12.32 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.637 2.224 . . . . 0.0 112.349 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -90.14 -23.85 21.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.31 -38.52 7.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 26' ' ' CYS . 5.7 t30 -75.84 133.36 40.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.459 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 5.5 t -116.43 85.99 2.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 44.73 42.6 7.69 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.1 mt -97.2 -28.45 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.866 0.365 . . . . 0.0 111.142 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.5 mt -135.23 170.99 15.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -146.64 151.0 36.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.514 ' CD1' ' HD3' ' A' ' 34' ' ' ARG . 10.5 m95 -96.7 115.49 27.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -88.0 -38.17 15.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -165.68 83.19 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.514 ' HD3' ' CD1' ' A' ' 31' ' ' TRP . 5.5 mmm180 -38.75 -48.34 1.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -47.3 -54.85 9.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -78.02 -16.53 58.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.927 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.536 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 78.53 18.21 76.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.474 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 36.6 mt -82.22 133.57 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.579 ' CE1' ' CE1' ' A' ' 89' ' ' PHE . 26.9 p90 -137.52 154.32 49.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -114.46 141.91 47.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.3 t -94.16 85.3 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.1 t -52.47 -51.48 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -108.39 101.57 10.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.8 p -77.24 -25.36 51.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -80.85 -36.94 30.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.16 -37.14 58.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.7 tp -54.95 -45.62 74.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.98 -49.14 30.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -48.93 -45.85 42.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.46 ' CE ' HD23 ' A' ' 18' ' ' LEU . 2.8 mmm -68.03 -44.88 75.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.831 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 27.1 t-105 -55.87 -52.67 63.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.423 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -46.99 -47.13 20.05 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.53 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -52.73 -31.56 38.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.777 0.322 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -75.46 -35.98 60.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.14 10.89 40.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 54.19 31.44 14.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 -97.3 86.61 3.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -55.94 -19.79 13.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -103.32 28.33 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.423 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 23.5 tpp -74.61 133.89 42.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.3 t -152.71 143.86 23.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.18 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -42.32 -28.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -64.0 -43.54 95.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -85.05 -35.2 22.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.5 tt -60.28 -39.23 86.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 69' ' ' LEU . 33.3 p -55.42 -33.94 63.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.406 ' CG ' ' N ' ' A' ' 68' ' ' ALA . 3.1 ptt85 -41.66 -43.13 2.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.597 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -74.3 -32.42 62.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 66' ' ' SER . 40.9 mt -67.19 -32.35 73.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.57 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 1.1 mmm180 -85.15 -24.01 28.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -86.46 -15.11 41.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 10.7 m-85 -78.77 -11.07 59.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.57 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 21.1 m-85 -72.81 -55.25 6.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.64 -42.44 78.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 p -74.91 -18.13 60.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.03 -13.18 68.32 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.471 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.7 mm -47.45 -41.87 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.797 0.332 . . . . 0.0 111.153 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.6 mt -116.43 170.07 8.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.31 123.51 42.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.22 120.83 9.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 89.3 t -118.77 141.22 39.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -93.99 44.75 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -130.89 179.38 6.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.7 ttm-85 -104.86 134.62 47.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.467 ' N ' HD13 ' A' ' 85' ' ' LEU . 6.3 mp 47.83 33.16 3.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 88.8 t -132.56 109.84 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -115.47 172.41 7.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -151.11 133.9 15.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.579 ' CE1' ' CE1' ' A' ' 39' ' ' PHE . 96.5 m-85 -75.33 123.75 25.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.79 -150.1 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.0 -13.47 26.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.77 0.319 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -75.76 -31.03 59.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.48 127.86 34.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.082 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -115.71 143.72 44.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 123.51 -40.59 1.94 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.536 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 37.0 p-90 -84.35 -42.65 15.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.676 0.274 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.453 ' N ' ' CD2' ' A' ' 96' ' ' TRP . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.565 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 1.5 tm? . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.82 0.343 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.571 ' CZ2' ' HG3' ' A' ' 13' ' ' GLU . 20.1 p-90 -52.29 -44.48 65.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.571 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -69.67 -45.16 69.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.833 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 51' ' ' TRP . 3.0 t80 -48.51 -55.11 11.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.6 p -66.64 -23.6 31.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 3.6 ttp180 -77.79 -34.57 52.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 21' ' ' SER . 21.2 t70 -61.99 -51.37 68.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.435 ' CD2' HD11 ' A' ' 28' ' ' ILE . 8.1 mp -43.77 -44.0 6.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.403 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 62.0 mt -60.41 -36.31 77.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mt -93.19 -9.69 38.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 17' ' ' ASP . 4.7 m -121.39 85.7 42.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.643 0.735 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -8.93 24.87 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.698 2.265 . . . . 0.0 112.356 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -78.1 -29.97 49.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.06 -42.35 6.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -67.71 118.52 11.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.38 84.82 2.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.17 36.89 57.83 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.435 HD11 ' CD2' ' A' ' 18' ' ' LEU . 18.1 mt -96.42 -39.91 9.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.899 0.38 . . . . 0.0 111.127 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.66 171.51 12.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.461 ' CG ' ' HB3' ' A' ' 40' ' ' ARG . 4.4 pt-20 -148.74 151.36 34.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.495 ' CD2' ' HD2' ' A' ' 34' ' ' ARG . 27.9 m95 -91.61 125.14 36.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -99.37 -49.77 4.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -149.31 71.04 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.495 ' HD2' ' CD2' ' A' ' 31' ' ' TRP . 5.6 tpt180 -34.44 -42.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -53.23 -51.53 61.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 33' ' ' ASP . 4.1 mt-30 -78.56 -26.67 45.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.24 27.22 21.38 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.445 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.458 HG21 ' N ' ' A' ' 39' ' ' PHE . 21.5 mt -94.48 138.15 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.841 0.353 . . . . 0.0 111.154 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.458 ' N ' HG21 ' A' ' 38' ' ' ILE . 46.8 p90 -140.76 152.66 45.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.461 ' HB3' ' CG ' ' A' ' 30' ' ' GLU . 42.0 ttt180 -111.61 148.05 34.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.9 t -94.43 83.77 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 77.5 t -48.91 -57.27 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -110.76 100.37 9.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.868 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.571 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 89.6 p -68.68 -28.22 66.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -75.67 -53.28 8.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.7 -37.47 81.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 49.6 tp -57.53 -46.98 83.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.91 -52.11 13.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -45.92 -48.82 16.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.24 -47.08 78.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.563 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 20.8 t-105 -52.8 -55.83 20.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.03 -47.1 15.04 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.525 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -50.06 -33.66 19.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 0.0 110.913 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -69.44 -41.83 75.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.66 3.96 51.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 47.21 48.9 15.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.49 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 32.5 t30 -93.5 -43.39 8.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 0.3 OUTLIER 82.93 -37.04 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -101.0 39.52 1.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 54.5 tpp -91.1 138.44 31.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 62' ' ' TYR . 8.8 t -157.47 144.99 18.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.141 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.571 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 4.2 t80 -36.11 -50.39 0.71 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -44.65 -44.97 9.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -83.8 -48.43 10.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.1 tt -45.7 -44.31 13.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.7 p -49.51 -35.18 19.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -44.19 -40.5 5.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.931 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.599 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -74.69 -34.23 62.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.556 HD11 ' CE2' ' A' ' 87' ' ' TYR . 75.3 mt -65.66 -35.02 79.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.49 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 9.2 mtm180 -83.23 -28.36 29.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.413 ' CD1' ' CE ' ' A' ' 74' ' ' LYS . 67.5 t80 -77.83 -15.19 59.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 14.2 m-85 -80.48 -21.53 41.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.49 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 23.3 m-85 -64.5 -34.42 78.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.413 ' CE ' ' CD1' ' A' ' 71' ' ' TYR . 4.3 mtmp? -63.37 -49.83 72.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.9 p -76.8 -24.73 52.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.27 -14.49 47.65 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.529 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.5 mm -43.09 -39.98 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.453 ' CD1' ' HA ' ' A' ' 69' ' ' LEU . 10.1 mt -117.24 159.29 22.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.27 119.5 37.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -52.76 115.08 1.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.467 HG11 ' N ' ' A' ' 82' ' ' ASP . 74.4 t -106.48 141.74 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.467 ' N ' HG11 ' A' ' 81' ' ' VAL . 2.0 m-20 -101.97 33.58 2.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.1 mtt85 -119.05 175.67 5.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.407 ' O ' ' CG2' ' A' ' 86' ' ' VAL . 16.6 ttp180 -85.81 128.16 34.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.428 HD11 ' N ' ' A' ' 85' ' ' LEU . 10.2 mp 37.92 43.0 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.951 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.407 ' CG2' ' O ' ' A' ' 84' ' ' ARG . 81.8 t -128.89 107.69 16.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.556 ' CE2' HD11 ' A' ' 69' ' ' LEU . 31.4 m-85 -109.4 169.64 8.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.3 tttm -151.88 135.29 16.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 80.4 m-85 -73.67 130.29 39.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.875 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.77 -154.27 6.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.51 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.85 -25.53 20.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.769 0.319 . . . . 0.0 110.86 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -34.65 75.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.88 177.94 6.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 20.5 p80 -162.02 174.04 13.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 96.31 -45.16 1.93 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.565 ' CZ2' ' HG3' ' A' ' 97' ' ' GLN . 46.3 p-90 -76.25 -45.53 32.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.685 0.279 . . . . 0.0 110.941 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.565 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 1.7 mt-30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.518 HD23 ' CE2' ' A' ' 51' ' ' TRP . 2.4 tm? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.795 0.331 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.534 ' HB3' ' CE2' ' A' ' 72' ' ' TYR . 26.8 p-90 -45.79 -34.96 4.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.963 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.507 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -76.84 -40.71 46.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.461 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 0.9 OUTLIER -58.7 -51.57 69.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.423 HG13 ' N ' ' A' ' 16' ' ' ARG . 4.2 p -61.48 -40.51 86.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.105 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.423 ' N ' HG13 ' A' ' 15' ' ' VAL . 2.1 ttp180 -65.03 -49.63 69.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.413 ' N ' ' HE ' ' A' ' 16' ' ' ARG . 32.8 t0 -52.29 -37.98 57.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 25' ' ' ASN . 13.2 mt -54.41 -45.84 73.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.463 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . 13.6 mt -60.8 -42.8 98.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.6 mt -80.13 -13.32 59.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.2 m -118.82 83.77 23.67 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.654 0.74 . . . . 0.0 110.852 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -9.75 26.88 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.36 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -77.27 -29.04 53.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.78 -40.76 7.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.944 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.469 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . 14.4 t30 -76.04 128.69 35.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.5 87.21 2.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.23 39.82 28.39 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.5 mt -92.59 -33.67 5.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 0.0 111.118 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.8 mt -134.13 172.68 12.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.457 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 3.1 mt-10 -143.61 143.11 31.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.466 ' CD2' ' HD2' ' A' ' 34' ' ' ARG . 16.3 m95 -87.5 96.13 10.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -78.45 -34.17 47.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.829 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -159.07 101.82 1.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.466 ' HD2' ' CD2' ' A' ' 31' ' ' TRP . 47.5 mmm-85 -65.81 -44.61 85.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.826 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.93 -49.15 78.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -75.99 -28.96 58.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.8 30.83 16.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.51 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.1 mt -97.11 136.96 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 111.112 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -140.49 151.05 44.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -111.49 146.41 37.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.844 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 81.0 t -92.47 82.49 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.457 ' CG2' ' HG3' ' A' ' 30' ' ' GLU . 97.2 t -49.91 -50.08 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.168 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.2 mttm -115.94 105.43 12.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.43 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 96.9 p -77.73 -15.93 58.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -89.74 -42.71 11.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.58 -37.78 77.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 30.2 tp -59.93 -47.22 86.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.73 -47.71 58.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -50.14 -46.55 54.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.3 mmm -69.25 -41.22 77.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.518 ' CE2' HD23 ' A' ' 11' ' ' LEU . 21.4 t-105 -57.89 -54.22 49.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.46 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -46.12 -48.65 14.8 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -49.59 -39.52 35.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 0.0 110.946 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -64.81 -36.24 83.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.2 14.61 31.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.01 33.13 8.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.441 ' C ' ' OD1' ' A' ' 57' ' ' ASN . 28.1 t-20 -96.39 86.02 4.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -54.08 -23.46 13.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.422 ' C ' ' OD1' ' A' ' 57' ' ' ASN . 0.8 OUTLIER -104.72 40.55 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.875 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.512 ' CE ' ' CD1' ' A' ' 51' ' ' TRP . 40.7 tpp -92.03 131.24 37.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.0 t -151.55 149.75 29.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.136 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.43 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 5.4 t80 -38.43 -53.88 1.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -42.24 -40.87 2.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -85.78 -51.43 6.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.945 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.0 tt -44.63 -45.64 9.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 69' ' ' LEU . 26.0 p -47.8 -35.69 10.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' A' ' 68' ' ' ALA . 11.7 ptt-85 -40.69 -40.68 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.529 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -79.51 -30.6 41.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.121 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 66' ' ' SER . 80.3 mt -67.59 -38.38 83.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.49 ' HA ' ' CD2' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -85.96 -23.46 26.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -80.26 -16.3 55.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 6.3 m-85 -77.26 -30.18 54.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.915 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.552 ' CD2' ' HD2' ' A' ' 80' ' ' ARG . 24.3 m-85 -56.59 -27.79 58.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -66.77 -44.95 80.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 33.6 p -84.99 -22.57 29.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 106.79 -18.04 37.93 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.8 mm -40.52 -41.23 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.842 0.353 . . . . 0.0 111.096 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.438 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 11.4 mt -116.46 165.13 13.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.95 120.21 32.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.552 ' HD2' ' CD2' ' A' ' 73' ' ' TYR . 2.3 ttt180 -61.48 120.81 11.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.3 t -112.62 135.49 51.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.62 39.78 0.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -119.49 -178.06 3.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 -100.88 119.27 38.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.438 ' N ' HD22 ' A' ' 85' ' ' LEU . 3.9 mm? 51.18 36.42 15.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 55.8 t -126.5 104.11 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -103.79 169.68 8.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -151.71 132.5 14.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -72.34 131.61 42.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.98 -151.03 4.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.447 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.83 -22.01 18.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.82 0.343 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -63.77 -32.03 73.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -82.36 132.49 35.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -123.3 133.13 54.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 149.4 -44.29 0.73 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.461 ' CG ' ' N ' ' A' ' 97' ' ' GLN . 59.1 p-90 -84.26 -54.94 4.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.686 0.279 . . . . 0.0 110.885 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.461 ' N ' ' CG ' ' A' ' 96' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 14' ' ' PHE . 17.1 tp . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.772 0.32 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.564 ' CE3' ' HB2' ' A' ' 93' ' ' ALA . 21.1 p-90 -40.59 -39.99 1.17 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.496 ' HG2' ' CH2' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -69.09 -40.98 78.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.459 ' CD1' ' N ' ' A' ' 15' ' ' VAL . 1.5 t80 -62.46 -58.49 7.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.459 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 2.3 p -61.18 -24.41 33.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.469 ' HB2' ' CE1' ' A' ' 89' ' ' PHE . 2.0 ttp180 -77.32 -41.8 39.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 21' ' ' SER . 27.0 t70 -56.24 -47.26 78.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.5 mp -48.54 -45.12 37.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.497 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 15.0 mt -62.23 -35.09 77.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.0 mt -95.58 -3.33 46.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 17' ' ' ASP . 3.2 m -125.32 83.98 60.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.724 0.773 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -4.22 13.64 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.652 2.235 . . . . 0.0 112.338 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -85.79 -26.9 25.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.07 -47.04 4.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -63.23 124.02 20.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.7 89.14 3.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 43.86 36.96 3.89 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.455 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.1 mt -94.4 -31.82 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.874 0.369 . . . . 0.0 111.143 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -133.66 170.59 15.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -145.1 145.39 31.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.517 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 5.9 m95 -90.04 104.23 16.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -81.32 -38.72 26.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.468 ' HB2' ' CG1' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -152.89 104.27 2.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.517 ' HD3' ' CG ' ' A' ' 31' ' ' TRP . 0.8 OUTLIER -68.25 -25.46 65.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.872 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -71.44 -51.13 25.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.434 ' O ' ' CE ' ' A' ' 88' ' ' LYS . 3.5 mt-30 -89.15 -16.68 30.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.556 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 85.7 31.72 20.53 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.461 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.468 ' CG1' ' HB2' ' A' ' 33' ' ' ASP . 8.4 mm -78.62 127.22 38.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.876 0.369 . . . . 0.0 111.105 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 87' ' ' TYR . 51.0 p90 -137.81 146.77 43.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.44 ' HG2' ' N ' ' A' ' 41' ' ' VAL . 6.0 ttt180 -115.82 148.83 39.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.44 ' N ' ' HG2' ' A' ' 40' ' ' ARG . 97.0 t -96.27 80.17 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.8 t -49.67 -52.24 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.1 mttm -110.06 91.5 3.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.489 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 35.0 p -67.47 -26.61 66.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -76.85 -38.38 53.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.17 -30.01 48.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.1 tp -61.86 -44.39 96.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.26 -46.08 43.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.23 -46.69 62.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.5 mmm -66.28 -48.95 68.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.477 ' CD1' HD11 ' A' ' 65' ' ' LEU . 17.1 t-105 -51.59 -54.93 22.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -48.08 -44.25 25.84 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.451 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -52.03 -31.74 31.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.788 0.327 . . . . 0.0 110.929 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -73.38 -37.01 66.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -95.62 8.54 43.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 40.66 48.96 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 43.1 t30 -92.68 -44.22 8.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 0.9 OUTLIER 83.64 -34.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -102.31 34.7 2.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 52.5 tpp -87.08 133.15 33.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.3 t -149.18 146.54 27.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.113 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.489 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 7.3 t80 -38.24 -49.65 1.38 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -48.11 -41.74 27.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -81.97 -48.36 11.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.477 HD11 ' CD1' ' A' ' 51' ' ' TRP . 4.7 tt -49.1 -51.48 31.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.924 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 69' ' ' LEU . 43.0 m -43.82 -37.91 3.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -42.65 -38.79 2.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.429 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -78.46 -29.62 46.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 66' ' ' SER . 69.1 mt -66.67 -33.52 75.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.496 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -86.54 -21.86 26.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -84.39 -20.43 31.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.429 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 8.6 m-85 -74.02 -19.72 60.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.957 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.496 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 23.6 m-85 -64.55 -23.98 67.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.902 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -76.76 -46.92 23.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.9 p -77.14 -15.95 59.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.01 -5.82 72.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.475 HG22 ' CG ' ' A' ' 12' ' ' TRP . 3.3 mm -54.01 -41.83 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.811 0.339 . . . . 0.0 111.127 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.428 ' CD1' ' HA ' ' A' ' 69' ' ' LEU . 7.1 mt -115.52 166.76 11.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.11 122.66 37.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.34 133.61 34.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.458 ' CG1' ' HB2' ' A' ' 83' ' ' ARG . 57.8 t -126.9 137.23 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.92 32.13 1.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.458 ' HB2' ' CG1' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -116.6 177.89 4.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.881 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.06 126.46 35.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.7 mp 40.99 44.55 2.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 83.1 t -129.64 118.44 45.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.563 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 25.4 m-85 -121.6 172.36 8.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.942 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.434 ' CE ' ' O ' ' A' ' 36' ' ' GLN . 7.5 tttt -151.27 141.85 22.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.469 ' CE1' ' HB2' ' A' ' 16' ' ' ARG . 95.9 m-85 -82.47 123.48 29.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.95 -146.29 0.28 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -93.87 -22.47 18.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.808 0.337 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -67.61 -28.39 67.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.564 ' HB2' ' CE3' ' A' ' 12' ' ' TRP . . . -86.16 139.51 31.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -119.56 164.98 15.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 102.9 -49.05 0.99 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.51 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.556 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 24.6 p-90 -75.49 -46.69 30.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.775 0.322 . . . . 0.0 110.907 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.527 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 1.3 mt-30 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 14' ' ' PHE . 39.1 tp . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.812 0.339 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.466 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 32.0 p-90 -40.22 -34.55 0.32 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.466 ' HG2' ' CH2' ' A' ' 12' ' ' TRP . 0.3 OUTLIER -75.18 -42.63 55.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.2 t80 -62.24 -54.37 41.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.7 p -60.05 -32.08 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.081 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.445 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 1.4 ttp180 -72.32 -44.31 62.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -56.45 -29.91 62.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 25' ' ' ASN . 12.0 mt -65.48 -39.69 92.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.456 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . 5.1 mt -65.73 -34.71 78.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.4 mt -86.74 -14.06 43.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.0 m -116.98 80.89 11.74 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.618 0.723 . . . . 0.0 110.832 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -5.41 16.15 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.652 2.235 . . . . 0.0 112.337 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -83.47 -28.09 29.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.85 -40.65 7.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.462 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . 9.6 t30 -73.69 131.28 41.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.8 t -116.48 85.41 2.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 48.79 44.81 31.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.47 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 51.4 mt -98.42 -25.91 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.358 . . . . 0.0 111.135 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.9 mt -140.53 168.41 19.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -140.79 147.04 38.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.456 ' NE1' ' HB3' ' A' ' 19' ' ' LEU . 12.2 m95 -93.38 98.08 10.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -79.64 -28.83 40.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -163.42 102.9 0.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -39.04 83.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -60.0 -51.12 71.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -78.34 -32.37 49.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.93 26.4 11.6 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.461 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.2 mt -88.35 141.86 13.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.851 0.358 . . . . 0.0 111.103 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.492 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 37.9 p90 -146.16 151.0 36.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -111.95 142.33 44.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.2 t -88.14 84.22 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.9 t -52.69 -53.09 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 37.1 mttm -111.93 95.27 5.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.563 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 77.8 p -68.04 -30.48 69.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -73.7 -47.55 38.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.13 -39.1 92.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.5 tp -54.23 -54.35 41.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.16 -49.55 71.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -49.3 -48.3 46.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.453 ' CE ' HD23 ' A' ' 18' ' ' LEU . 4.6 mmm -66.52 -50.71 62.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.568 ' CD1' HD12 ' A' ' 65' ' ' LEU . 21.0 t-105 -48.8 -57.6 6.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.01 -48.93 14.15 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -48.79 -31.87 7.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 110.945 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.409 ' HG3' ' CD2' ' A' ' 14' ' ' PHE . 5.4 mmm180 -74.21 -35.7 63.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.99 8.33 43.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 45.53 32.0 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 52.3 t-20 -75.57 -49.0 19.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 8.0 t0 83.72 -32.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 -103.22 30.39 4.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.434 ' CE ' ' CD1' ' A' ' 51' ' ' TRP . 53.3 tpp -81.25 140.79 34.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 62' ' ' TYR . 11.2 t -159.7 139.61 11.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.563 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 3.3 t80 -35.27 -41.56 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -51.98 -49.33 63.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 61' ' ' THR . 50.1 mttm -80.42 -42.63 22.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.568 HD12 ' CD1' ' A' ' 51' ' ' TRP . 1.5 tt -51.54 -48.0 63.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.3 p -45.38 -38.84 6.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.2 ptt-85 -42.98 -40.87 3.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.98 -34.24 57.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.093 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.446 HD12 ' CD2' ' A' ' 65' ' ' LEU . 45.1 mt -63.42 -43.38 97.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.563 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -81.87 -17.11 48.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.84 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -81.76 -21.93 37.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.452 ' CB ' ' HB2' ' A' ' 78' ' ' LEU . 10.9 m-85 -73.21 -26.54 61.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.563 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 21.6 m-85 -57.82 -23.86 54.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -78.28 -43.9 26.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.961 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.2 p -82.2 -8.03 59.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.43 -11.14 61.96 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.465 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.4 mm -47.06 -42.85 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 111.168 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.452 ' HB2' ' CB ' ' A' ' 72' ' ' TYR . 1.2 mp -110.31 -177.45 3.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.967 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -127.01 128.71 46.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -68.21 110.78 4.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 82' ' ' ASP . 41.9 t -113.61 141.81 28.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.436 ' N ' HG12 ' A' ' 81' ' ' VAL . 0.5 OUTLIER -98.33 45.5 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.902 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.63 -172.73 2.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.0 112.02 24.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.3 mp 60.07 34.99 21.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 44.8 t -125.33 108.16 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -112.93 168.82 9.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 79' ' ' GLU . 8.8 tttt -151.95 129.56 11.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.492 ' CE2' ' CE1' ' A' ' 39' ' ' PHE . 93.6 m-85 -69.2 125.53 26.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -71.15 -150.52 0.75 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.45 -15.42 22.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -71.14 -27.18 63.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.16 136.38 38.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.074 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 29.1 p80 -131.26 128.22 39.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 142.34 -32.43 1.97 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.428 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.437 ' CG ' ' N ' ' A' ' 97' ' ' GLN . 66.1 p-90 -89.57 -51.27 5.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.762 0.315 . . . . 0.0 110.889 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.437 ' N ' ' CG ' ' A' ' 96' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -141.14 136.01 31.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.865 0.364 . . . . 0.0 110.856 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.4 p -142.44 -54.63 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.813 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.51 52.55 0.22 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.455 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.41 120.74 42.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.906 0.384 . . . . 0.0 110.872 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 t -94.61 -49.9 5.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.861 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.88 -41.42 2.13 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.405 ' O ' ' CD2' ' A' ' 10' ' ' HIS . 5.7 m -116.47 107.95 15.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.896 0.379 . . . . 0.0 110.848 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.417 ' C ' ' CG ' ' A' ' 10' ' ' HIS . 26.7 m -75.27 161.74 29.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.417 ' CG ' ' C ' ' A' ' 9' ' ' SER . 48.1 m-70 -157.48 136.2 11.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.427 HD22 ' CD2' ' A' ' 69' ' ' LEU . 15.0 tp -57.43 -59.81 4.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 15.6 p-90 -40.77 -33.11 0.26 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -44.52 33.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 15' ' ' VAL . 0.9 OUTLIER -61.83 -54.3 44.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.445 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 7.4 p -59.0 -34.9 54.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 5.7 ttp180 -71.54 -47.12 57.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -53.29 -37.42 62.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.43 ' CD2' ' HB2' ' A' ' 25' ' ' ASN . 12.3 mt -58.76 -35.0 72.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.463 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . 26.6 mt -69.7 -30.63 68.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.2 mt -96.58 -2.75 44.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 m -126.13 81.47 66.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.682 0.753 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -9.87 27.19 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.637 2.225 . . . . 0.0 112.382 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.38 -27.8 38.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.07 -40.33 7.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.43 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . 14.0 t30 -76.92 129.31 36.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.3 85.43 2.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 48.91 47.95 31.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.5 mt -103.03 -29.61 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 111.136 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.4 mt -136.02 170.35 16.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -142.7 144.88 32.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.463 ' NE1' ' HB3' ' A' ' 19' ' ' LEU . 6.3 m95 -88.83 98.52 11.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -78.04 -30.49 49.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.546 ' CG ' ' NE2' ' A' ' 36' ' ' GLN . 28.8 m-20 -158.36 110.69 2.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -39.31 66.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -66.68 -52.63 42.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.546 ' NE2' ' CG ' ' A' ' 33' ' ' ASP . 17.9 mt-30 -74.69 -34.21 62.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.76 23.19 18.94 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.461 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.6 mt -84.32 134.97 25.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.853 0.358 . . . . 0.0 111.107 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.416 ' CZ ' ' HB2' ' A' ' 87' ' ' TYR . 11.9 p90 -137.3 156.38 48.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.46 ' HG2' ' N ' ' A' ' 41' ' ' VAL . 12.2 ttt180 -115.9 151.02 36.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.46 ' N ' ' HG2' ' A' ' 40' ' ' ARG . 48.6 t -101.44 79.55 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.3 t -50.93 -46.04 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -114.51 89.63 3.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 86.3 p -66.84 -22.02 66.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -80.76 -48.5 12.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.08 -32.24 73.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.9 tp -57.14 -53.6 56.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.72 -51.11 53.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.23 -46.44 12.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.7 mmm -69.47 -41.56 76.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.514 ' CD1' HD12 ' A' ' 65' ' ' LEU . 21.5 t-105 -55.97 -55.07 37.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 56' ' ' LYS . . . -46.65 -50.56 14.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.499 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.37 -34.35 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.931 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -72.57 -34.01 67.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -101.97 7.44 41.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 52' ' ' GLY . 1.8 mttm 58.04 30.82 19.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -100.07 82.62 2.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.88 -24.45 6.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.6 mtt85 -96.87 29.33 3.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.415 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 48.0 tpp -85.17 133.15 34.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.1 t -152.78 154.12 34.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -39.53 -57.29 1.48 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -40.26 -41.74 1.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp -80.08 -53.12 7.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.514 HD12 ' CD1' ' A' ' 51' ' ' TRP . 3.0 tt -45.42 -51.33 11.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 69' ' ' LEU . 9.4 p -44.02 -40.5 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.6 ptt-85 -40.07 -38.01 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.426 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -84.91 -28.57 25.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.567 HD12 ' CE2' ' A' ' 87' ' ' TYR . 87.8 mt -68.82 -31.89 71.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.476 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 3.0 mmt180 -90.16 -20.4 23.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -84.72 -15.79 43.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.426 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 5.8 m-85 -76.35 -23.39 54.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.476 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 22.9 m-85 -62.24 -24.55 67.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -74.2 -39.57 63.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.3 p -88.06 -22.17 24.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 102.69 -16.81 54.33 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.404 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 7.5 mm -41.87 -41.83 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.7 mt -116.67 167.74 10.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -126.07 121.14 32.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -61.03 134.11 56.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.414 HG13 ' N ' ' A' ' 82' ' ' ASP . 49.7 t -122.89 152.02 27.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.414 ' N ' HG13 ' A' ' 81' ' ' VAL . 0.6 OUTLIER -96.31 33.88 1.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -120.8 -179.32 3.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.6 126.13 48.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.9 mp 52.18 34.61 14.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.9 t -125.58 115.0 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.567 ' CE2' HD12 ' A' ' 69' ' ' LEU . 4.8 m-85 -117.64 168.54 10.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -151.15 130.95 13.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 90.2 m-85 -69.33 129.06 38.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -72.06 -151.2 1.15 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -94.2 -23.98 17.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.805 0.336 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -62.54 -34.53 77.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.31 158.25 34.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.112 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -137.17 173.2 11.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.71 -48.15 2.3 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.507 ' CZ2' ' HG3' ' A' ' 97' ' ' GLN . 23.4 p-90 -76.52 -40.0 51.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.752 0.31 . . . . 0.0 110.946 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.507 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 1.8 mt-30 -52.83 158.27 1.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -134.52 162.57 31.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 53.72 170.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.56 96.29 6.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 29.4 mt -119.01 113.92 21.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.39 -60.33 1.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 130.11 171.28 12.89 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -17.81 37.33 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.642 2.228 . . . . 0.0 112.376 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 55.2 p -102.95 146.7 27.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 107' ' ' GLY . 1.5 t -158.94 119.0 3.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.842 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 106' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.41 141.39 24.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 0.0 110.872 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.19 167.88 19.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.11 -60.55 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.514 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.9 -56.36 5.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.94 0.4 . . . . 0.0 110.881 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 53.11 92.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.903 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.54 -158.93 32.1 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 63.5 p -147.51 149.44 32.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.37 . . . . 0.0 110.837 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 48.92 93.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -110.35 148.04 32.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.546 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 1.7 tm? -49.82 -54.86 16.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.552 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 35.1 p-90 -56.06 -36.21 67.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.552 ' HG2' ' CH2' ' A' ' 12' ' ' TRP . 0.7 OUTLIER -72.95 -34.57 66.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.523 ' CE1' ' HB2' ' A' ' 51' ' ' TRP . 0.9 OUTLIER -64.44 -48.3 75.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.915 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.0 p -72.24 -19.19 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -82.92 -52.0 7.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -51.16 -38.78 54.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 25' ' ' ASN . 18.0 mt -52.2 -42.76 63.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.462 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . 7.9 mt -62.73 -33.82 75.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.953 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mt -90.74 -14.76 31.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.0 m -114.73 80.61 6.57 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.677 0.751 . . . . 0.0 110.834 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -11.19 30.32 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.351 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.88 -25.97 43.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.47 -42.39 5.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.469 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . 11.4 t30 -70.25 130.72 42.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.45 85.42 2.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.49 45.05 22.74 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 33.6 mt -98.78 -30.56 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.927 0.394 . . . . 0.0 111.148 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -138.02 171.08 14.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.413 ' CG ' ' HB3' ' A' ' 40' ' ' ARG . 5.3 pt-20 -146.81 154.42 41.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.548 ' NE1' ' NH1' ' A' ' 34' ' ' ARG . 14.4 m95 -97.97 103.59 15.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -85.62 -25.93 26.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.97 96.29 0.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.548 ' NH1' ' NE1' ' A' ' 31' ' ' TRP . 1.7 tpt180 -66.1 -36.28 82.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -58.25 -47.35 83.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -85.08 -27.74 26.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.491 ' HA3' ' CH2' ' A' ' 96' ' ' TRP . . . 92.76 27.32 14.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.519 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.9 mt -90.88 142.18 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 111.155 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.559 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 34.9 p90 -148.16 150.07 33.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.413 ' HB3' ' CG ' ' A' ' 30' ' ' GLU . 35.7 ttt180 -111.39 147.49 35.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.0 t -94.14 82.97 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.0 t -51.17 -47.89 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.122 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -114.32 106.94 14.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.434 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 42.9 p -81.45 -27.89 34.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -80.53 -32.11 36.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.92 -34.81 44.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.118 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 23.6 tp -62.92 -49.47 74.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.16 -41.89 76.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -56.65 -52.09 66.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.448 ' CE ' HD22 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -63.97 -45.55 88.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.878 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.523 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 22.8 t-105 -56.7 -54.91 40.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.47 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -45.38 -41.44 8.77 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -60.04 -30.87 69.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.338 . . . . 0.0 110.883 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -70.17 -35.87 74.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.02 -3.47 57.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.32 30.16 11.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -100.79 142.14 32.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.69 20.3 18.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.446 ' O ' ' NZ ' ' A' ' 64' ' ' LYS . 9.5 mtt85 -137.29 30.79 2.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.47 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 41.7 tpp -81.52 139.74 34.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.452 HG23 ' CD ' ' A' ' 64' ' ' LYS . 4.9 t -166.83 140.02 3.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.434 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 4.1 t80 -35.81 -46.36 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -48.12 -46.36 34.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.452 ' CD ' HG23 ' A' ' 61' ' ' THR . 9.4 mttt -82.95 -45.85 13.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.4 tt -48.59 -44.08 36.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.0 p -51.34 -33.94 31.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.442 ' CG ' ' N ' ' A' ' 68' ' ' ALA . 1.0 OUTLIER -42.52 -44.62 4.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.834 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.577 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -72.2 -34.08 68.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.428 ' HA ' ' CD1' ' A' ' 78' ' ' LEU . 61.1 mt -67.13 -41.18 86.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.532 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 5.6 mmm180 -83.11 -17.58 42.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.455 ' O ' ' CD1' ' A' ' 71' ' ' TYR . 19.2 t80 -88.65 -17.8 29.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.577 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 9.1 m-85 -78.6 -14.97 59.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.947 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.532 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 23.0 m-85 -70.17 -2.63 13.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -98.5 -36.4 9.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.0 p -90.07 -19.54 24.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.132 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 102.7 -15.18 55.96 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.536 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.43 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 3.6 mm -46.14 -43.79 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.871 0.367 . . . . 0.0 111.113 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.429 ' HB2' ' CB ' ' A' ' 72' ' ' TYR . 8.4 mt -116.69 162.87 16.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.46 124.49 44.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -60.29 134.36 56.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.4 HG11 ' N ' ' A' ' 82' ' ' ASP . 92.6 t -128.23 147.32 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.17 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.4 ' N ' HG11 ' A' ' 81' ' ' VAL . 78.3 m-20 -96.34 41.42 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.47 177.46 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 -100.49 116.13 31.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.458 HD12 ' N ' ' A' ' 85' ' ' LEU . 5.6 mp 59.76 32.62 21.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 89.5 t -125.08 106.19 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -109.0 171.44 7.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -151.76 128.08 10.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.559 ' CE2' ' CE1' ' A' ' 39' ' ' PHE . 83.3 m-85 -68.61 133.5 48.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.6 -154.4 6.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.512 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.82 -21.17 22.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.33 . . . . 0.0 110.922 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.03 -34.13 77.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.95 158.22 36.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -140.83 172.27 12.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 95.26 -53.11 1.83 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.491 ' CH2' ' HA3' ' A' ' 37' ' ' GLY . 34.5 p-90 -72.81 -39.88 66.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.678 0.275 . . . . 0.0 110.911 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.455 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 3.5 mt-30 -56.5 147.71 21.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -145.97 83.32 1.63 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -177.7 126.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 39.7 tttt 55.27 53.08 10.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.9 mt -94.53 -45.55 7.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.72 100.25 5.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 167.11 150.89 6.63 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.447 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 105' ' ' SER . 53.7 Cg_endo -69.72 -1.56 8.66 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.742 2.295 . . . . 0.0 112.34 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 104' ' ' PRO . 98.3 p -34.95 119.89 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 55.3 p -131.59 145.68 51.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.473 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 t -74.52 81.08 1.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.895 0.378 . . . . 0.0 110.866 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.2 t -176.48 -52.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.845 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.66 63.64 5.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.506 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.28 143.62 26.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.882 0.373 . . . . 0.0 110.878 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.66 -54.03 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.838 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.49 -133.29 4.11 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 44.03 37.94 2.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 0.0 110.82 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.8 p -94.24 174.36 7.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -136.26 123.21 21.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.831 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.2 tp -54.81 -55.87 25.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.499 ' CE3' ' HB1' ' A' ' 93' ' ' ALA . 20.6 p-90 -40.83 -41.44 1.58 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.485 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.3 OUTLIER -66.91 -43.13 84.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.883 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.456 ' CD1' ' N ' ' A' ' 15' ' ' VAL . 1.6 t80 -60.75 -58.39 8.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.456 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 3.1 p -57.19 -26.51 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.09 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.409 ' NH2' ' OD2' ' A' ' 17' ' ' ASP . 7.9 ttp180 -77.3 -53.16 8.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.409 ' OD2' ' NH2' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -49.01 -29.55 5.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.405 ' CD2' ' HB2' ' A' ' 25' ' ' ASN . 9.1 mt -64.68 -45.73 85.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.429 HD23 ' CE2' ' A' ' 31' ' ' TRP . 6.6 mt -59.21 -36.85 76.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mt -84.39 -11.76 55.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 m -118.96 80.58 18.41 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.682 0.753 . . . . 0.0 110.835 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -5.34 15.97 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.702 2.268 . . . . 0.0 112.321 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -85.08 -26.54 26.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.08 -41.3 6.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 26' ' ' CYS . 6.4 t30 -72.79 132.89 44.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.442 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.5 OUTLIER -116.21 86.01 2.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.7 32.6 8.34 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.439 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.6 mt -84.02 -31.97 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.361 . . . . 0.0 111.121 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 mt -134.61 170.9 15.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -141.43 147.45 37.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.429 ' CE2' HD23 ' A' ' 19' ' ' LEU . 9.1 m95 -92.2 92.76 8.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -71.97 -33.31 68.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -160.91 110.79 1.7 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.5 mmm-85 -71.02 -42.41 69.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -60.38 -52.39 65.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -75.8 -34.67 60.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.434 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 95.36 26.65 11.79 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.4 mt -87.05 137.72 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 111.135 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -137.92 153.12 49.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.8 ttt85 -114.1 145.08 42.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.9 t -90.13 82.69 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.2 t -54.02 -48.92 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -117.12 94.09 4.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.408 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 51.8 p -68.2 -14.42 62.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -87.64 -46.72 9.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.87 -37.05 81.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 35.9 tp -55.72 -49.59 72.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.39 -50.84 23.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -48.03 -47.29 33.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.1 mmm -66.85 -48.77 67.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 20.9 t-105 -50.43 -55.24 16.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.16 -47.49 33.46 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.478 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -48.65 -36.2 15.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.772 0.32 . . . . 0.0 110.866 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -69.18 -36.42 77.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.91 -2.73 58.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.56 32.84 15.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.869 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.484 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 43.2 t-20 -79.81 -48.37 13.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.932 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 3.4 t0 83.46 -22.42 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.6 mmt85 -108.37 28.99 7.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 50.7 tpp -81.29 139.14 35.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 64' ' ' LYS . 9.9 t -157.14 137.81 13.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.196 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 61' ' ' THR . 4.1 t80 -35.4 -41.87 0.19 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.08 -47.3 68.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 61' ' ' THR . 30.3 mttm -79.7 -43.21 23.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.6 tt -52.93 -49.33 66.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.9 p -44.89 -35.89 3.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.407 ' CG ' ' N ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -44.69 -42.55 7.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.407 ' N ' ' CG ' ' A' ' 67' ' ' ARG . . . -75.96 -35.98 59.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.6 mt -61.51 -41.67 97.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.544 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -81.62 -18.97 42.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.848 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -88.41 -14.48 37.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.422 ' CD1' ' HB ' ' A' ' 77' ' ' ILE . 4.3 m-85 -77.28 -21.97 52.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.544 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 24.4 m-85 -62.34 -20.22 64.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.89 -43.6 24.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.855 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 37.4 p -82.16 -15.75 52.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.131 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 95.84 -13.78 65.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.422 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 8.4 mm -45.21 -45.48 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.852 0.358 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.7 mt -116.64 161.81 18.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -116.88 122.39 44.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.444 ' HD2' ' CD2' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -58.78 118.44 5.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 42.0 t -110.84 144.22 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.54 37.8 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -115.54 -170.3 1.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -100.79 117.8 35.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.3 mm? 45.51 42.35 7.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 49.6 t -129.32 113.39 27.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -112.97 168.4 9.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -147.21 132.89 18.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.909 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -71.26 129.94 40.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -75.27 -152.73 3.51 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.447 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.2 -16.39 24.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.797 0.332 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -69.89 -25.79 63.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.499 ' HB1' ' CE3' ' A' ' 12' ' ' TRP . . . -84.76 135.04 34.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 20.1 p80 -122.74 143.02 50.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 124.79 -39.79 2.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.498 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.464 ' CZ2' ' HG3' ' A' ' 97' ' ' GLN . 42.3 p-90 -82.71 -43.15 17.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.665 0.269 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.464 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 1.2 mt-30 -47.84 163.85 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 97' ' ' GLN . 1.5 tm-20 -35.5 137.48 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -154.3 175.78 13.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.32 117.76 4.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 102' ' ' SER . 8.0 tp -164.71 115.69 1.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 101' ' ' LEU . 0.5 OUTLIER -35.15 -49.54 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 155.17 146.25 4.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.5 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 176.82 6.26 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.37 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 55.1 p -72.87 -40.6 65.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.824 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 t -171.06 -46.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.458 179.942 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.58 110.53 0.37 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.895 0.379 . . . . 0.0 110.853 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 m -57.55 173.76 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.834 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.08 115.45 2.97 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.455 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.37 91.68 7.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.362 . . . . 0.0 110.831 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -168.7 43.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.66 56.59 17.32 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.9 m -109.22 115.5 30.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 110.86 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 m -163.8 85.4 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -111.12 134.55 52.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.491 HD22 ' CD2' ' A' ' 51' ' ' TRP . 1.1 tm? -38.56 -62.25 0.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.534 ' HB3' ' CE2' ' A' ' 72' ' ' TYR . 13.9 p-90 -45.45 -38.14 5.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.509 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.5 OUTLIER -73.45 -39.9 64.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.434 ' CD1' ' N ' ' A' ' 15' ' ' VAL . 1.8 t80 -56.67 -57.35 12.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.434 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 2.7 p -60.93 -42.33 92.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.407 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -60.33 -43.23 96.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 21' ' ' SER . 14.0 t70 -52.87 -51.15 62.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.419 ' CB ' ' HB2' ' A' ' 25' ' ' ASN . 7.8 mp -44.22 -45.12 8.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.475 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 68.3 mt -60.23 -39.94 88.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.9 mt -91.48 -5.77 53.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.947 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 17' ' ' ASP . 3.6 m -123.29 82.42 52.26 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.678 0.751 . . . . 0.0 110.855 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -9.89 27.21 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.279 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -79.78 -26.95 40.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.842 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.32 -46.11 4.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.419 ' HB2' ' CB ' ' A' ' 18' ' ' LEU . 45.0 t30 -64.29 121.07 13.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -115.59 86.55 2.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.03 36.06 19.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 29.6 mt -93.28 -28.88 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 111.138 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.5 mt -135.98 177.08 8.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.453 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 4.2 mt-10 -148.63 148.41 30.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.475 ' CE2' ' HB3' ' A' ' 19' ' ' LEU . 10.8 m95 -95.18 95.83 8.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -73.58 -36.83 65.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.27 96.64 0.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -58.86 -44.12 90.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.43 -50.17 68.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -79.55 -23.0 43.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.559 ' HA3' ' CH2' ' A' ' 96' ' ' TRP . . . 85.12 28.33 31.25 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.464 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 36.3 mt -92.26 134.95 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.855 0.359 . . . . 0.0 111.173 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.402 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 33.1 p90 -137.26 150.39 47.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.455 ' HG2' ' N ' ' A' ' 41' ' ' VAL . 35.0 ttt180 -112.17 147.8 35.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.455 ' N ' ' HG2' ' A' ' 40' ' ' ARG . 70.3 t -94.45 81.93 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.453 ' CG2' ' HG3' ' A' ' 30' ' ' GLU . 97.9 t -49.07 -49.31 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.5 mttm -116.62 107.78 15.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 83.0 p -77.41 -24.44 50.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -80.96 -46.81 14.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.32 -39.87 92.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 30.0 tp -55.99 -53.72 53.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.54 -44.16 87.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.068 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -47.0 75.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -37.23 80.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.491 ' CD2' HD22 ' A' ' 11' ' ' LEU . 24.2 t-105 -63.94 -49.26 73.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.467 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -51.13 -45.81 51.38 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -51.63 -33.53 33.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.84 0.352 . . . . 0.0 110.94 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -72.01 -35.82 69.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.61 10.13 41.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 54.49 29.11 10.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -97.56 84.49 3.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.33 -18.34 2.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.8 mmt180 -102.63 31.05 4.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.467 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 38.2 tpp -81.45 132.42 35.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.6 t -150.11 146.04 26.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.135 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -40.25 -42.69 1.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -50.69 -43.05 57.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -83.84 -43.48 15.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.6 tt -53.41 -35.59 60.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.2 p -59.39 -36.44 75.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.45 ' CG ' ' N ' ' A' ' 68' ' ' ALA . 1.3 ptt180 -43.1 -45.21 5.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.45 ' N ' ' CG ' ' A' ' 67' ' ' ARG . . . -72.27 -34.23 68.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.73 -37.34 87.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -87.06 -19.08 29.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -84.15 -16.19 44.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 6.8 m-85 -77.5 -21.89 52.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.944 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.487 ' CE1' ' N ' ' A' ' 80' ' ' ARG . 24.0 m-85 -64.86 -16.91 63.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -80.11 -40.05 28.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.2 p -87.71 -25.42 23.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.17 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 109.9 -18.4 29.02 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.425 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 12.8 mm -39.7 -47.37 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.819 0.342 . . . . 0.0 111.119 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.3 mt -112.07 169.43 8.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -130.72 113.39 14.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.487 ' N ' ' CE1' ' A' ' 73' ' ' TYR . 13.9 ttt180 -50.43 128.67 20.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.9 t -115.67 152.49 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.72 34.24 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -129.17 167.59 17.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -92.53 136.22 33.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.8 mp 48.7 27.63 1.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 29.9 t -124.26 104.83 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -109.86 169.31 8.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -149.71 138.8 21.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.407 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 96.5 m-85 -78.4 133.11 37.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -81.69 -148.79 6.72 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.478 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.78 -24.92 18.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.79 0.329 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.52 -29.14 69.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -82.97 160.15 22.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.082 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 24.2 p80 -147.75 170.31 17.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 101.08 -44.55 1.54 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.559 ' CH2' ' HA3' ' A' ' 37' ' ' GLY . 48.3 p-90 -80.88 -41.5 23.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.722 0.296 . . . . 0.0 110.932 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.417 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 0.8 OUTLIER -52.53 154.4 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -119.11 160.18 22.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -59.96 161.28 6.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.71 176.58 6.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.14 104.36 13.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.6 p -114.7 -61.58 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.44 -169.61 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.514 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -178.08 2.16 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.47 -56.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.843 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 67.0 p 40.74 42.18 1.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.466 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.1 p -173.61 143.09 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 0.0 110.857 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.82 175.33 9.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.39 -127.96 7.28 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.467 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t 58.58 40.55 23.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.842 0.353 . . . . 0.0 110.85 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.15 144.28 46.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.819 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.61 -98.03 1.22 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.518 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.4 108.46 11.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.866 0.365 . . . . 0.0 110.85 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.9 t -90.51 168.85 11.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.6 m-70 -129.41 127.06 40.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.8 tp -57.07 -55.32 36.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.545 ' CZ2' ' HG3' ' A' ' 13' ' ' GLU . 15.1 p-90 -40.51 -39.34 1.0 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.545 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.4 OUTLIER -72.83 -41.77 64.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.422 ' CD2' ' N ' ' A' ' 15' ' ' VAL . 2.1 t80 -57.78 -58.86 6.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.422 ' N ' ' CD2' ' A' ' 14' ' ' PHE . 4.8 p -57.77 -42.31 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 4.3 ttp180 -63.45 -40.26 96.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -59.43 -34.22 72.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 25' ' ' ASN . 11.2 mt -60.97 -42.05 97.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.454 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . 9.0 mt -61.77 -40.59 95.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -81.27 -10.73 59.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.7 m -120.55 80.64 30.99 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.611 0.72 . . . . 0.0 110.834 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -6.78 19.4 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.252 . . . . 0.0 112.33 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -82.79 -28.32 30.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.92 -39.58 8.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.463 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . 7.4 t30 -74.7 132.28 41.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.422 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.5 OUTLIER -116.48 85.02 2.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 48.9 36.11 19.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.485 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.4 mt -87.78 -31.12 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.854 0.359 . . . . 0.0 111.145 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 mt -139.29 171.26 14.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.444 ' CG ' ' HB3' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -145.39 149.54 34.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.454 ' NE1' ' HB3' ' A' ' 19' ' ' LEU . 31.6 m95 -89.2 97.33 11.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.976 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -73.3 -28.34 62.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.71 105.06 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -39.28 85.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.416 ' N ' ' OE1' ' A' ' 35' ' ' GLU . 1.4 mp0 -59.82 -54.3 47.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -76.5 -30.37 57.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.492 ' HA3' ' CH2' ' A' ' 96' ' ' TRP . . . 93.14 28.32 12.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.464 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.8 mt -91.58 142.71 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.359 . . . . 0.0 111.138 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.754 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 53.0 p90 -146.96 154.06 40.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.444 ' HB3' ' CG ' ' A' ' 30' ' ' GLU . 45.9 ttt180 -117.17 149.31 40.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.8 t -95.7 87.21 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.4 t -54.05 -44.78 63.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -118.44 93.56 4.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.1 p -68.55 -25.11 64.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -79.11 -38.63 35.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.28 -36.39 61.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 23.0 tp -56.54 -51.0 70.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.34 -49.91 51.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -47.88 -46.58 31.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.433 ' CE ' HD21 ' A' ' 18' ' ' LEU . 2.5 mmm -67.86 -45.67 73.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.529 ' CD1' HD12 ' A' ' 65' ' ' LEU . 20.6 t-105 -52.38 -56.0 17.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.63 -39.86 39.06 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.533 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -54.5 -35.58 63.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.32 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -70.8 -35.18 72.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.828 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -94.62 4.87 53.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.8 mttt 44.4 49.22 8.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.484 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 45.1 t-20 -93.65 -46.95 7.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER 83.59 -34.06 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.1 mpp_? -96.94 22.7 8.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 54.6 tpp -75.83 144.92 41.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 64' ' ' LYS . 9.9 t -165.86 141.41 4.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.162 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 61' ' ' THR . 2.4 t80 -37.41 -42.49 0.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -51.67 -46.46 63.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 61' ' ' THR . 22.3 mttm -82.16 -44.07 16.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.529 HD12 ' CD1' ' A' ' 51' ' ' TRP . 2.6 tt -51.45 -47.6 63.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.4 p -43.71 -37.01 2.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.6 ptt-85 -42.86 -41.11 3.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.31 -34.85 55.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.143 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.6 mt -62.87 -33.45 75.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.466 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -89.7 -24.08 21.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -80.78 -13.89 58.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.428 ' CD1' ' HB ' ' A' ' 77' ' ' ILE . 5.9 m-85 -76.58 -27.36 55.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.466 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 24.1 m-85 -61.07 -18.53 58.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -78.66 -32.11 47.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.448 ' O ' ' CG ' ' A' ' 92' ' ' ASN . 43.0 p -101.2 -6.93 23.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.35 -17.86 51.9 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.516 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.428 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 5.5 mm -38.45 -45.49 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.835 0.35 . . . . 0.0 111.161 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.9 mt -114.35 162.59 16.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.02 117.68 30.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -47.19 126.41 9.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.0 t -118.91 141.2 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -103.0 32.72 3.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.68 -172.75 2.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -102.21 118.84 37.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.0 mp 54.08 28.1 8.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 55.6 t -115.8 107.6 23.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -113.35 169.44 8.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.3 tttm -151.79 135.14 16.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.754 ' CE2' ' CE1' ' A' ' 39' ' ' PHE . 97.6 m-85 -75.66 130.76 39.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -76.73 -153.33 5.1 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -88.15 -27.02 22.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.793 0.33 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 75' ' ' THR . 1.1 m-80 -61.19 -32.16 71.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.65 174.78 5.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -163.73 167.18 21.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 102.41 -41.96 2.01 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.503 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.492 ' CH2' ' HA3' ' A' ' 37' ' ' GLY . 57.7 p-90 -82.93 -39.66 21.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.737 0.303 . . . . 0.0 110.911 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.42 162.02 2.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -159.39 132.95 7.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.18 164.03 29.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.833 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -101.8 168.23 9.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.8 pp -65.73 126.53 28.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 51.44 80.42 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -67.2 173.55 28.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -31.22 21.04 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.388 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.93 -50.95 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.4 t -83.56 157.62 22.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.466 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 t -110.97 92.39 4.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.868 0.366 . . . . 0.0 110.857 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.8 m -132.39 118.18 19.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.78 51.95 0.73 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.452 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.14 89.64 1.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.876 0.369 . . . . 0.0 110.85 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.8 t -166.47 -49.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.85 37.58 0.31 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.61 102.42 12.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.895 0.378 . . . . 0.0 110.885 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 t -154.88 35.19 0.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.422 ' HB3' ' CD1' ' A' ' 12' ' ' TRP . 25.6 m-70 -143.26 130.75 21.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 14' ' ' PHE . 12.1 tp -62.13 -53.91 48.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.517 ' CE2' ' HG3' ' A' ' 13' ' ' GLU . 33.0 p-90 -42.79 -29.83 0.34 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.517 ' HG3' ' CE2' ' A' ' 12' ' ' TRP . 2.2 mt-10 -83.21 -35.34 25.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -66.32 -48.27 70.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p -71.73 -36.44 59.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -62.65 -42.71 99.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 21' ' ' SER . 23.8 t70 -54.11 -54.07 44.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.402 ' CB ' ' HB2' ' A' ' 25' ' ' ASN . 7.8 mp -43.23 -43.65 4.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.433 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . 86.4 mt -61.86 -35.73 79.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.4 mt -97.48 -2.78 41.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.962 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 17' ' ' ASP . 2.6 m -122.57 81.44 47.49 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.669 0.747 . . . . 0.0 110.827 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -3.52 12.2 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.703 2.269 . . . . 0.0 112.314 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -88.32 -27.49 21.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.1 -44.77 5.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.402 ' HB2' ' CB ' ' A' ' 18' ' ' LEU . 42.6 t30 -65.36 124.32 21.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.04 86.3 2.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.47 28.57 4.9 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.6 mt -84.25 -28.8 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.89 0.376 . . . . 0.0 111.126 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.0 mt -139.08 172.49 12.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.965 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.06 147.56 30.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.433 ' NE1' ' HB3' ' A' ' 19' ' ' LEU . 7.2 m95 -90.87 101.43 14.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -74.29 -38.07 63.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.33 104.54 1.85 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 48.5 mmm-85 -62.59 -24.43 67.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.67 -51.61 10.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.4 ' O ' ' CE ' ' A' ' 88' ' ' LYS . 5.4 mt-30 -79.27 -14.87 58.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.18 22.11 76.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.472 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.0 mt -84.39 131.65 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 111.102 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.529 ' CZ ' ' HB2' ' A' ' 87' ' ' TYR . 32.5 p90 -130.38 155.93 45.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -116.56 154.94 29.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.409 ' CG1' ' HA ' ' A' ' 44' ' ' SER . 94.3 t -102.06 83.73 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.1 t -52.95 -49.17 50.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.106 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -115.35 87.39 2.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.409 ' HA ' ' CG1' ' A' ' 41' ' ' VAL . 44.5 p -63.14 -11.01 17.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -92.21 -47.81 7.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.54 -24.6 62.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.2 tp -65.1 -44.63 88.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.926 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.94 -45.68 26.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.44 -44.33 62.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -68.98 -47.87 64.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.57 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 17.7 t-105 -53.31 -55.2 26.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.437 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -48.54 -42.08 26.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -54.86 -31.62 59.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.768 0.318 . . . . 0.0 110.927 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.5 mmm-85 -78.31 -34.59 48.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.509 ' HG3' ' CZ2' ' A' ' 51' ' ' TRP . 0.5 OUTLIER -95.77 5.96 50.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.63 31.09 19.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.425 ' C ' ' OD1' ' A' ' 57' ' ' ASN . 30.5 t-20 -100.37 82.6 2.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -51.55 -22.15 3.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -99.49 27.99 4.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.437 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 32.8 tpp -78.68 131.59 36.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.4 t -151.28 145.43 25.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -42.46 -35.53 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -57.97 -41.06 82.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -86.57 -40.26 15.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.534 HD13 ' CD1' ' A' ' 51' ' ' TRP . 3.0 tt -57.17 -43.2 82.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 52.5 p -53.73 -29.05 37.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -50.07 -41.61 48.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.87 -36.41 67.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.549 HD13 ' CE2' ' A' ' 87' ' ' TYR . 84.7 mt -60.9 -42.17 97.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.6 mmm-85 -76.99 -20.26 56.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -87.99 -14.55 38.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.446 ' CD1' ' HB ' ' A' ' 77' ' ' ILE . 4.7 m-85 -78.18 -16.0 58.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.519 ' CD2' ' HD2' ' A' ' 80' ' ' ARG . 24.1 m-85 -71.86 -13.33 61.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.929 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -85.27 -35.98 21.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.6 p -91.23 -18.33 24.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.169 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.81 -2.84 60.42 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.446 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 4.6 mm -55.42 -44.17 74.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.865 0.364 . . . . 0.0 111.128 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.6 mt -114.73 165.21 13.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -124.43 111.89 16.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.519 ' HD2' ' CD2' ' A' ' 73' ' ' TYR . 1.3 ttt180 -48.0 133.35 14.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 38.9 t -124.74 141.31 45.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.18 43.32 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -135.06 173.47 11.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -103.16 131.29 50.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.8 mp 56.44 34.07 23.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 85.3 t -136.46 114.96 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.549 ' CE2' HD13 ' A' ' 69' ' ' LEU . 8.4 m-85 -118.82 173.81 6.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.4 ' CE ' ' O ' ' A' ' 36' ' ' GLN . 22.6 tttt -151.84 132.62 14.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -74.88 124.79 27.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.25 -147.57 0.24 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.507 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.5 -25.5 18.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -61.54 -35.07 76.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.34 153.06 44.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -138.33 167.74 21.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.68 -42.16 2.8 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.524 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.521 ' CZ2' ' HG3' ' A' ' 97' ' ' GLN . 35.9 p-90 -75.03 -38.38 61.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.707 0.289 . . . . 0.0 110.956 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.521 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 4.8 mt-30 -56.14 153.12 9.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -163.99 86.75 0.49 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.27 166.67 0.27 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.9 tttt 39.23 72.63 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.65 23.03 13.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.2 t -143.59 113.53 7.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -112.43 83.43 0.33 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 141.67 46.05 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.656 2.237 . . . . 0.0 112.362 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 58.46 -173.52 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.8 t -90.78 -52.39 4.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.28 -46.61 4.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 0.0 110.904 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m -140.81 156.33 46.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 134.7 -151.27 20.33 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 4' ' ' GLY . 0.4 OUTLIER 35.4 86.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.902 0.382 . . . . 0.0 110.861 -179.733 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.85 106.73 15.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.56 112.77 0.91 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.32 113.31 22.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.884 0.373 . . . . 0.0 110.87 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.4 t -117.87 -57.73 2.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -83.11 137.15 34.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 14' ' ' PHE . 6.9 tp -64.53 -56.02 16.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.49 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 22.8 p-90 -40.62 -39.68 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.49 ' HG2' ' CH2' ' A' ' 12' ' ' TRP . 0.4 OUTLIER -70.37 -40.66 73.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.7 t80 -63.82 -54.81 29.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.9 p -62.49 -37.17 78.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.47 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 1.0 OUTLIER -64.26 -41.43 96.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 21' ' ' SER . 8.3 t0 -54.93 -51.13 67.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.3 mp -45.58 -44.46 12.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.469 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 24.9 mt -58.53 -38.48 77.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mt -93.24 -9.77 37.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 17' ' ' ASP . 2.1 m -114.08 81.24 6.09 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.643 0.735 . . . . 0.0 110.825 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -5.43 16.21 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.655 2.237 . . . . 0.0 112.317 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -87.06 -24.6 24.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.39 -45.93 4.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -62.22 120.73 11.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.2 87.34 2.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 48.59 36.36 18.01 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.449 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.0 mt -98.45 -26.66 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 111.115 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.2 mt -142.01 168.36 19.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.459 ' CG ' ' HB3' ' A' ' 40' ' ' ARG . 0.6 OUTLIER -146.77 153.97 40.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.469 ' CE2' ' HB3' ' A' ' 19' ' ' LEU . 8.9 m95 -95.6 114.75 26.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -94.84 -17.16 22.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -172.72 105.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.431 ' HD3' ' CG ' ' A' ' 31' ' ' TRP . 1.2 mmt85 -70.41 -34.01 72.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -63.06 -57.17 11.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.37 -31.13 48.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.0 25.41 14.6 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.486 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.2 mt -80.48 134.68 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.907 0.384 . . . . 0.0 111.135 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.455 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 33.7 p90 -136.58 155.86 49.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.459 ' HB3' ' CG ' ' A' ' 30' ' ' GLU . 27.7 ttt180 -121.46 145.2 48.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.437 ' N ' ' HG2' ' A' ' 40' ' ' ARG . 52.4 t -92.33 90.22 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.0 t -59.57 -48.92 85.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 43.9 mttm -111.02 90.33 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.464 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 90.6 p -64.57 -33.11 75.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -76.83 -38.14 54.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.36 -37.21 66.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 24.3 tp -56.76 -50.46 72.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.32 -52.23 49.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -45.48 -48.23 13.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.7 mmm -67.21 -44.54 79.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.4 ' CD1' HD13 ' A' ' 65' ' ' LEU . 23.1 t-105 -54.86 -54.48 41.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.36 -42.22 33.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.42 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -52.04 -34.58 43.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.777 0.323 . . . . 0.0 110.916 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.0 -33.8 63.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.24 10.49 39.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.8 mttt 43.69 29.48 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.503 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 52.0 t30 -69.9 -49.85 48.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 5.3 t0 83.73 -33.42 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -106.73 28.8 7.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 47.6 tpp -77.95 137.58 38.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 62' ' ' TYR . 1.4 t -154.39 140.9 18.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.173 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.464 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 6.5 t80 -37.19 -41.98 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.907 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -50.86 -46.24 60.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -83.59 -43.11 16.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.4 HD13 ' CD1' ' A' ' 51' ' ' TRP . 2.7 tt -51.39 -48.73 62.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.967 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.0 m -45.3 -36.58 4.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.446 ' CG ' ' N ' ' A' ' 68' ' ' ALA . 2.1 ptm180 -41.89 -44.8 3.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.832 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.446 ' N ' ' CG ' ' A' ' 67' ' ' ARG . . . -73.5 -34.63 65.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.9 mt -63.18 -38.53 91.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.567 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 4.2 mmt-85 -84.09 -13.85 51.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -92.22 -16.8 25.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.433 ' CB ' ' HB2' ' A' ' 78' ' ' LEU . 9.5 m-85 -75.73 -15.91 60.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.919 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.567 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 20.6 m-85 -70.77 -17.22 62.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.942 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -86.93 -29.64 21.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 37.9 p -96.37 -8.13 33.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.42 -17.22 49.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.497 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.0 mm -43.51 -46.94 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.935 0.397 . . . . 0.0 111.155 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.433 ' HB2' ' CB ' ' A' ' 72' ' ' TYR . 12.5 mt -113.81 169.36 9.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.15 124.65 43.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.494 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -62.41 128.43 35.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.8 t -124.71 140.67 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -85.88 25.86 1.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -109.85 174.21 5.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -102.33 129.61 48.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.1 mp 54.0 32.44 15.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.963 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 51.5 t -130.88 121.17 49.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.1 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.403 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 6.4 m-85 -125.0 170.62 10.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.5 tttm -148.94 138.54 21.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.47 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 99.3 m-85 -79.03 127.92 32.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -74.35 -146.74 1.17 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.542 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.06 -19.16 20.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.777 0.322 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -67.67 -32.15 72.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.57 164.82 26.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -156.76 146.01 20.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 124.29 -40.24 1.97 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.52 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.541 ' CD2' ' N ' ' A' ' 97' ' ' GLN . 62.5 p-90 -81.28 -52.95 6.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.742 0.306 . . . . 0.0 110.944 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.541 ' N ' ' CD2' ' A' ' 96' ' ' TRP . 0.0 OUTLIER -53.9 147.91 11.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.95 167.71 17.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.23 130.27 56.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.46 124.28 25.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.14 166.02 26.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.68 100.06 3.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 171.81 147.01 5.54 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.455 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 155.37 65.93 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.647 2.231 . . . . 0.0 112.35 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 70.5 m -149.9 150.81 32.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.74 105.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.465 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.56 83.92 3.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 0.0 110.847 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.2 p -129.73 100.25 5.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.61 -75.15 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.42 124.3 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.369 . . . . 0.0 110.894 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -161.22 98.53 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.57 -125.74 3.9 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.509 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.0 m 58.8 85.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.852 0.358 . . . . 0.0 110.85 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.99 -48.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 13' ' ' GLU . 13.8 m-70 -97.64 136.97 37.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.478 HD23 ' CD2' ' A' ' 51' ' ' TRP . 1.8 tm? -36.05 -65.03 0.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 72' ' ' TYR . 14.6 p-90 -45.22 -35.94 3.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.486 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.9 OUTLIER -75.4 -36.42 60.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.893 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -63.97 -55.7 20.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.4 p -58.9 -38.56 73.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 2.6 ttp180 -68.59 -54.65 15.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.517 ' N ' ' HE ' ' A' ' 16' ' ' ARG . 14.2 t70 -47.44 -38.48 13.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.433 HD21 ' CE ' ' A' ' 50' ' ' MET . 9.9 mt -55.9 -39.41 71.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.471 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 8.3 mt -64.92 -41.59 95.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.2 mt -80.37 -15.71 56.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.0 m -114.98 81.61 7.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 110.824 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -9.78 26.95 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.648 2.232 . . . . 0.0 112.377 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -79.5 -29.38 41.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.02 -38.28 8.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.425 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . 17.6 t30 -77.49 128.3 33.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.32 87.09 2.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.59 43.88 37.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.511 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.6 mt -96.18 -31.38 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 111.122 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 mt -135.18 170.5 15.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.448 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 0.7 OUTLIER -137.96 142.52 40.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.471 ' CE2' ' HB3' ' A' ' 19' ' ' LEU . 8.7 m95 -90.84 92.86 8.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -74.77 -31.19 61.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -162.4 105.53 1.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -41.43 77.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.64 -50.66 71.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -75.67 -35.13 60.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.947 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.429 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 96.73 28.57 8.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.494 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 45.5 mt -91.0 135.28 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.905 0.383 . . . . 0.0 111.133 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -138.09 150.31 46.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -111.45 144.98 39.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.838 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.8 t -89.51 81.18 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.448 ' CG2' ' HG3' ' A' ' 30' ' ' GLU . 99.7 t -50.93 -53.91 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -114.35 92.66 4.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.6 p -64.97 -29.89 70.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -79.09 -39.13 34.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.25 -37.04 74.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.088 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 27.6 tp -60.57 -46.91 88.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.3 -48.33 61.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -50.7 -47.05 59.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.433 ' CE ' HD21 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -69.1 -43.24 74.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.846 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.478 ' CD2' HD23 ' A' ' 11' ' ' LEU . 26.7 t-105 -57.12 -49.22 76.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.469 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -50.04 -49.02 37.62 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -49.85 -35.69 24.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.329 . . . . 0.0 110.909 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -69.91 -34.76 73.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.79 14.41 32.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 52.0 31.86 9.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.443 ' OD1' ' C ' ' A' ' 59' ' ' ARG . 32.1 t-20 -96.9 81.68 3.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -51.09 -22.71 2.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.443 ' C ' ' OD1' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -105.11 40.04 1.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.902 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.469 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 42.0 tpp -87.64 131.39 34.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.3 t -151.54 150.72 30.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.149 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -42.29 -38.31 1.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -54.29 -41.18 68.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -87.67 -41.48 13.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.447 HD12 ' CD1' ' A' ' 51' ' ' TRP . 5.9 tt -54.82 -41.62 70.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.4 p -54.82 -31.44 59.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.14 -38.43 5.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.496 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -79.29 -33.97 42.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.066 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.406 HD13 ' CE2' ' A' ' 87' ' ' TYR . 90.8 mt -61.21 -43.26 99.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.425 ' HA ' ' CD2' ' A' ' 73' ' ' TYR . 2.0 mmt180 -79.79 -24.13 41.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.561 ' O ' ' CD1' ' A' ' 71' ' ' TYR . 26.2 t80 -84.19 -7.82 59.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 12' ' ' TRP . 6.9 m-85 -85.44 -17.36 36.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.553 ' CE1' ' HB3' ' A' ' 78' ' ' LEU . 39.8 m-85 -77.48 -11.17 59.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -77.01 -44.0 32.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.924 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.2 p -88.73 -30.31 19.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.417 ' C ' ' HB2' ' A' ' 92' ' ' ASN . . . 118.88 -3.54 14.61 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.5 mm -49.71 -48.73 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 111.122 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.553 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 11.8 mt -111.82 164.21 13.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -120.27 111.61 18.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.402 ' N ' ' CE1' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -45.07 113.33 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.438 HG12 ' N ' ' A' ' 82' ' ' ASP . 45.2 t -103.08 145.04 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.438 ' N ' HG12 ' A' ' 81' ' ' VAL . 5.0 m-20 -102.89 38.49 1.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.53 -176.9 3.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.66 118.48 32.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.6 mm? 45.9 41.01 7.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 97.4 t -131.04 110.82 18.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.406 ' CE2' HD13 ' A' ' 69' ' ' LEU . 11.1 m-85 -108.27 172.12 7.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -151.93 137.41 17.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 93.9 m-85 -77.68 132.86 38.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.844 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.37 -146.71 3.78 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.445 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.7 pttt -95.43 -25.23 16.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.798 0.332 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.417 ' HB2' ' C ' ' A' ' 76' ' ' GLY . 0.9 OUTLIER -59.19 -37.02 76.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.78 177.5 4.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -162.54 177.68 9.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.96 -42.65 2.86 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.493 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.429 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 43.7 p-90 -83.15 -42.1 17.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.731 0.301 . . . . 0.0 110.925 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.429 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 0.7 OUTLIER -52.82 155.19 2.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.73 160.82 21.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 62.64 133.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.24 150.85 37.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.0 tp -90.91 -47.99 7.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.58 101.59 3.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -112.4 147.62 18.29 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.523 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -32.61 18.14 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.719 2.28 . . . . 0.0 112.334 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.55 141.42 37.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.7 p -50.71 -53.1 34.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.511 179.962 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m -54.33 102.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.839 0.352 . . . . 0.0 110.889 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.47 104.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.879 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.55 -111.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.497 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -107.48 136.75 46.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.873 0.368 . . . . 0.0 110.889 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.9 t -82.65 -53.34 6.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.836 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.43 164.45 25.16 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.444 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.11 124.41 31.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.827 0.346 . . . . 0.0 110.889 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.89 132.43 5.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 65.34 131.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 14' ' ' PHE . 7.1 tt -68.06 -53.53 24.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.567 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 28.5 p-90 -40.02 -32.3 0.16 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.567 ' HG2' ' CH2' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -82.39 -37.55 25.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.476 ' CD2' ' N ' ' A' ' 15' ' ' VAL . 2.3 t80 -57.05 -60.87 2.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.476 ' N ' ' CD2' ' A' ' 14' ' ' PHE . 3.0 p -60.92 -39.7 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.23 -41.66 84.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 21' ' ' SER . 7.1 t70 -53.39 -51.69 61.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.6 mp -44.82 -42.33 7.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.48 HD13 ' CH2' ' A' ' 31' ' ' TRP . 53.4 mt -61.81 -39.47 91.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 mt -92.06 -6.55 50.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 17' ' ' ASP . 2.3 m -121.56 82.37 40.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.657 0.741 . . . . 0.0 110.851 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -9.35 25.92 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.711 2.274 . . . . 0.0 112.337 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -81.53 -26.51 35.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.89 -44.98 5.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -66.24 124.19 22.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.825 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.3 t -115.24 86.59 2.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.82 30.16 14.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.7 mt -87.48 -30.32 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 111.123 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mt -137.47 172.57 12.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -145.96 145.41 30.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.48 ' CH2' HD13 ' A' ' 19' ' ' LEU . 8.0 m95 -89.8 100.97 13.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -81.76 -24.42 36.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -166.31 104.86 0.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.456 ' HD2' ' CD2' ' A' ' 31' ' ' TRP . 55.2 mmm-85 -69.14 -33.01 72.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -69.4 -50.83 42.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -78.3 -29.02 47.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.554 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 91.94 22.19 31.2 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.503 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 22.6 mt -83.38 137.42 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 111.102 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.671 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 37.9 p90 -139.98 152.65 46.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.3 ttt85 -112.28 148.62 33.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 85.4 t -97.25 79.23 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.2 t -48.93 -47.27 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -116.46 93.65 4.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.458 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 93.4 p -66.91 -27.51 67.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -79.15 -40.16 31.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.12 -36.87 77.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.7 tp -61.72 -41.66 97.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.51 -47.13 50.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -53.89 -49.58 68.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.1 -54.55 39.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.551 ' CD1' HD13 ' A' ' 65' ' ' LEU . 23.1 t-105 -48.8 -54.46 15.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.465 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -47.08 -44.86 19.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.467 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -54.15 -33.8 58.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.811 0.338 . . . . 0.0 110.899 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -70.79 -36.16 72.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.99 10.97 37.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 57.13 23.63 8.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -94.27 92.81 7.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -62.44 -19.22 63.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -101.13 33.57 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.465 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 50.5 tpp -83.78 131.98 34.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.0 t -150.19 146.42 26.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.458 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 3.4 t80 -39.67 -45.63 1.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -51.16 -41.27 60.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -82.97 -46.51 12.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.551 HD13 ' CD1' ' A' ' 51' ' ' TRP . 4.3 tt -50.94 -46.46 60.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 94.4 p -44.64 -33.62 1.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.815 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.418 ' CG ' ' N ' ' A' ' 68' ' ' ALA . 2.9 ptt-85 -46.58 -43.15 16.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.418 ' N ' ' CG ' ' A' ' 67' ' ' ARG . . . -74.67 -34.61 62.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.425 HD12 ' CD2' ' A' ' 65' ' ' LEU . 59.2 mt -63.77 -43.01 97.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.571 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -74.8 -19.88 60.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -87.46 -15.35 37.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 12' ' ' TRP . 8.6 m-85 -79.41 -10.48 59.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.571 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 23.2 m-85 -72.57 -55.24 7.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.01 -43.15 73.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.0 p -74.2 -20.73 60.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 95.47 -11.51 68.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.517 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 14.9 mm -50.72 -42.69 23.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.883 0.373 . . . . 0.0 111.105 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.444 ' HB2' ' CB ' ' A' ' 72' ' ' TYR . 11.3 mt -115.15 166.47 11.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.45 122.59 38.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -50.3 130.92 23.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' ' 82' ' ' ASP . 32.9 t -121.91 141.38 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.428 ' N ' HG13 ' A' ' 81' ' ' VAL . 92.8 m-20 -102.21 33.23 3.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.43 177.75 4.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -93.44 123.91 37.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.469 HD13 ' N ' ' A' ' 85' ' ' LEU . 7.7 mp 48.47 36.56 7.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 t -127.46 115.06 38.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.171 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -116.06 170.86 8.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -148.9 130.19 14.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.671 ' CE2' ' CE1' ' A' ' 39' ' ' PHE . 98.6 m-85 -73.29 130.21 39.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -74.64 -158.88 6.49 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.69 -32.28 25.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.776 0.322 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -57.51 -35.05 69.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.41 104.88 7.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.064 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -104.27 120.9 42.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 159.03 -37.23 0.5 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.554 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 62.9 p-90 -86.16 -52.81 5.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.729 0.3 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.42 ' N ' ' CG ' ' A' ' 96' ' ' TRP . 0.0 OUTLIER -52.7 149.96 5.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -68.93 152.72 44.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -132.68 145.51 51.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -56.41 161.87 2.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.5 mp -137.69 141.92 41.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.94 91.57 5.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -176.24 76.47 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.45 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 146.17 59.24 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.74 -59.05 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.82 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 97.4 p -154.1 139.67 17.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.469 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.7 p -172.29 175.46 3.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 110.823 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.3 t -73.74 -49.91 23.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.848 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.0 60.68 4.08 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.467 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.62 106.69 4.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.913 0.387 . . . . 0.0 110.881 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t -171.99 -43.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.825 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.79 -68.09 0.59 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.453 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.3 t 47.6 97.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.378 . . . . 0.0 110.879 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.84 166.67 14.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 62.7 123.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 14' ' ' PHE . 34.4 tp -58.25 -54.97 40.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.965 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.55 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 17.1 p-90 -40.11 -38.31 0.73 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.55 ' HG2' ' CH2' ' A' ' 12' ' ' TRP . 0.5 OUTLIER -72.44 -41.32 66.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.4 t80 -63.63 -50.96 67.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -63.15 -30.38 49.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 1.6 ttp180 -75.81 -47.43 25.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.05 -29.47 30.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.46 ' CD2' ' HB2' ' A' ' 25' ' ' ASN . 8.1 mt -66.0 -44.41 84.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.453 HD21 ' CE2' ' A' ' 31' ' ' TRP . 7.1 mt -59.0 -35.1 72.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.3 mt -86.82 -13.0 46.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.5 m -116.77 80.81 11.18 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.656 0.741 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -5.95 17.43 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.321 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -85.22 -25.3 27.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.12 -39.46 7.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.46 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . 11.1 t30 -77.16 130.99 38.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.85 86.57 2.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 48.26 37.64 18.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.1 mt -91.6 -23.85 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.87 0.367 . . . . 0.0 111.122 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.2 mt -141.81 167.23 22.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -139.65 149.63 43.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.453 ' CE2' HD21 ' A' ' 19' ' ' LEU . 9.9 m95 -96.13 98.02 10.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -79.57 -25.48 41.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -167.84 102.5 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.8 tpt85 -68.01 -39.2 83.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.2 -49.62 76.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -79.09 -32.0 44.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.08 27.25 11.16 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.459 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 29.2 mt -88.72 140.22 16.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.906 0.384 . . . . 0.0 111.112 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.443 ' CZ ' ' HB2' ' A' ' 87' ' ' TYR . 22.8 p90 -142.42 153.15 43.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -115.67 144.49 43.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.7 t -91.53 84.17 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.9 t -55.04 -52.37 44.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -111.2 90.79 3.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.563 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 89.1 p -65.03 -29.54 70.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -73.03 -50.08 25.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.59 -37.76 88.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 32.1 tp -55.67 -53.1 60.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.417 ' CB ' ' N ' ' A' ' 62' ' ' TYR . . . -66.05 -50.44 64.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.65 -48.44 49.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.9 mmm -66.37 -46.05 78.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 23.6 t-105 -54.21 -51.76 63.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.25 -46.57 34.89 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.476 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -50.63 -30.87 14.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.79 0.329 . . . . 0.0 110.901 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -74.53 -37.39 63.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -93.97 3.35 55.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.42 47.36 14.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.502 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 47.3 t-20 -91.52 -43.93 9.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 6.4 t0 83.71 -33.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.414 ' O ' ' NZ ' ' A' ' 64' ' ' LYS . 21.3 mtt-85 -104.91 33.93 3.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 48.6 tpp -84.16 132.81 34.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 62' ' ' TYR . 6.8 t -150.84 143.4 24.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.563 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 6.4 t80 -34.77 -42.46 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.47 -49.78 54.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.414 ' NZ ' ' O ' ' A' ' 59' ' ' ARG . 8.9 mttt -79.78 -42.78 23.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.8 tt -52.12 -40.83 61.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 54.7 p -54.22 -30.37 49.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.844 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -48.03 -39.62 20.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.591 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -75.65 -35.66 60.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.54 ' HB3' ' CE2' ' A' ' 87' ' ' TYR . 44.3 mt -63.68 -41.08 98.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.569 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -84.65 -20.85 30.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.528 ' CE1' ' HD2' ' A' ' 74' ' ' LYS . 15.7 t80 -83.94 -12.99 54.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.591 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 10.9 m-85 -83.27 -20.1 35.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.569 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 21.3 m-85 -63.45 -40.9 98.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.528 ' HD2' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -62.53 -36.47 82.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.0 p -87.88 -17.54 31.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.158 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.64 -20.35 48.97 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.517 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.0 mm -38.41 -45.48 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 111.102 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.453 ' HB2' ' CB ' ' A' ' 72' ' ' TYR . 0.8 OUTLIER -109.18 -177.4 3.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 88' ' ' LYS . 0.4 OUTLIER -125.05 128.03 47.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -70.0 101.52 1.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 51.3 t -106.72 137.28 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -94.49 44.25 1.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -117.77 -174.36 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -97.2 119.55 35.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.464 HD11 ' N ' ' A' ' 85' ' ' LEU . 9.7 mp 44.0 41.91 4.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 41.6 t -126.77 108.82 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.54 ' CE2' ' HB3' ' A' ' 69' ' ' LEU . 10.5 m-85 -113.51 168.52 9.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 79' ' ' GLU . 6.7 tttm -151.89 137.52 17.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 89.5 m-85 -74.69 123.84 25.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.49 -147.45 0.26 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.22 -22.17 18.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.782 0.325 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -67.28 -30.59 70.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.73 130.07 40.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 27.2 p80 -128.55 125.18 37.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 145.5 -43.13 0.94 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.573 ' CD2' ' N ' ' A' ' 97' ' ' GLN . 65.7 p-90 -80.69 -54.05 5.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.699 0.285 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.573 ' N ' ' CD2' ' A' ' 96' ' ' TRP . 0.0 OUTLIER -51.79 157.5 1.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -101.68 146.6 27.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 13.8 t70 56.62 161.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -151.02 157.11 42.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 178.72 173.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.3 t -161.35 90.49 0.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 140.25 152.01 5.73 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.461 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -8.98 24.98 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.724 2.283 . . . . 0.0 112.35 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.94 130.07 42.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 27.7 t -81.91 110.35 17.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.458 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.52 142.13 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.93 0.395 . . . . 0.0 110.842 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t 69.15 156.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.45 -178.54 16.37 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.468 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.9 p -167.39 110.41 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.364 . . . . 0.0 110.874 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.89 128.33 42.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.886 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.52 151.72 20.96 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.452 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 9' ' ' SER . 15.1 m -57.25 -52.16 66.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.37 . . . . 0.0 110.848 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 8' ' ' SER . 0.4 OUTLIER 78.65 -58.54 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 -179.81 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -86.41 137.42 32.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.504 HD21 ' CD2' ' A' ' 51' ' ' TRP . 1.8 tm? -49.96 -55.93 12.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 30.4 p-90 -49.86 -39.6 39.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.07 -34.96 75.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.522 ' CE1' ' HB2' ' A' ' 51' ' ' TRP . 2.2 t80 -66.65 -51.81 51.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.4 p -64.37 -37.13 79.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.55 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 8.3 ttp180 -71.07 -47.48 58.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -50.99 -40.04 57.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.448 ' CD2' ' HB2' ' A' ' 25' ' ' ASN . 14.6 mt -51.42 -41.45 60.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.45 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . 3.8 mt -64.98 -41.35 95.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.3 mt -79.78 -19.14 49.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.3 m -113.61 80.59 4.96 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.59 0.709 . . . . 0.0 110.853 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -13.49 34.83 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.726 2.284 . . . . 0.0 112.355 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -74.47 -28.4 61.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.88 -44.36 5.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.448 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . 24.1 t30 -69.03 127.28 32.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.23 85.16 2.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 52.94 38.16 54.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 53.4 mt -89.81 -35.61 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.902 0.382 . . . . 0.0 111.143 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 mt -132.58 172.6 12.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.444 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 1.0 OUTLIER -145.31 143.63 30.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.901 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.498 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 11.2 m95 -88.63 96.35 10.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.941 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -77.2 -26.22 52.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -166.25 106.28 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.498 ' HD3' ' CG ' ' A' ' 31' ' ' TRP . 5.0 mmm180 -68.11 -42.77 79.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -60.39 -51.97 67.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -75.57 -32.46 60.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.8 26.54 16.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.0 mt -87.68 135.77 24.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.827 0.346 . . . . 0.0 111.174 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.491 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 34.8 p90 -137.09 148.9 47.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -110.14 142.55 41.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.9 t -91.55 83.2 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.444 ' CG2' ' HG3' ' A' ' 30' ' ' GLU . 58.7 t -54.38 -49.6 63.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -113.22 104.28 12.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 97.7 p -78.84 -22.23 46.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -85.4 -30.43 23.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.835 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.16 -38.39 36.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 29.9 tp -61.8 -42.39 98.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.04 -47.72 34.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.055 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.6 mttp -53.59 -50.96 64.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.415 ' CE ' HD23 ' A' ' 18' ' ' LEU . 1.1 mmm -65.34 -44.09 88.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.522 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 22.1 t-105 -56.06 -50.4 71.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.471 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -50.23 -46.43 43.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.499 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -52.24 -30.86 29.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.8 0.333 . . . . 0.0 110.896 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -72.53 -39.59 67.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.72 11.28 34.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.37 32.36 20.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.481 ' OD1' ' N ' ' A' ' 59' ' ' ARG . 32.0 t-20 -100.63 89.43 3.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.91 -15.04 10.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.481 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 1.7 mtt180 -108.96 36.59 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.471 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 47.9 tpp -84.91 135.93 33.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.0 t -154.96 150.29 27.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -41.33 -46.12 3.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -47.86 -39.96 20.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -87.51 -47.84 8.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 tt -49.35 -39.79 33.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.9 m -57.44 -31.25 65.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -45.38 -40.24 7.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.43 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -78.35 -32.93 49.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.8 mt -65.99 -40.53 91.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.525 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -82.66 -18.06 42.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.473 ' O ' ' CD1' ' A' ' 71' ' ' TYR . 19.6 t80 -87.51 -17.45 32.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.457 ' CD1' ' HB ' ' A' ' 77' ' ' ILE . 7.2 m-85 -77.86 -17.31 57.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.525 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 25.7 m-85 -69.18 -3.2 12.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -98.87 -36.0 9.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.925 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.2 p -92.36 -8.45 44.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.3 -18.86 53.13 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.478 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.457 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 3.6 mm -39.08 -45.46 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.891 0.376 . . . . 0.0 111.152 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.3 mt -117.71 166.17 12.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.949 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -118.86 117.02 27.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.433 ' HA ' ' CE1' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -52.49 115.99 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 -179.892 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.8 t -106.14 147.13 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.43 39.73 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.1 mtp85 -129.1 179.01 6.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.4 ttt85 -98.6 132.08 44.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.1 mp 43.88 42.59 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 86.1 t -140.3 104.45 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -109.97 171.88 7.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -149.3 126.54 11.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.55 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 95.5 m-85 -68.17 133.14 48.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -78.19 -150.6 4.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.42 -15.97 25.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.339 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.06 -32.81 72.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.19 140.46 40.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.095 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -124.3 149.13 46.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 116.95 -39.64 2.61 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.491 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.446 ' CZ2' ' HG3' ' A' ' 97' ' ' GLN . 29.5 p-90 -82.53 -42.26 18.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.745 0.307 . . . . 0.0 110.94 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.446 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 0.3 OUTLIER -51.68 150.91 3.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -91.12 149.1 21.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 61.21 137.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.33 86.04 2.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.0 pp -106.63 130.02 54.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.6 m -79.11 175.51 10.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.819 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.69 -158.18 8.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.518 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 105' ' ' SER . 53.3 Cg_endo -69.76 106.52 1.68 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.712 2.275 . . . . 0.0 112.304 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 104' ' ' PRO . 89.0 p -34.6 -49.72 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 107' ' ' GLY . 77.9 p 45.48 92.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 106' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.5 81.08 9.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 0.0 110.875 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.5 p -157.03 129.8 7.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.874 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.81 -94.05 0.51 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.97 41.42 0.66 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.86 0.362 . . . . 0.0 110.88 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.85 -42.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.844 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.2 58.35 0.43 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.8 t -136.57 72.86 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.935 0.397 . . . . 0.0 110.843 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.49 83.58 1.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.84 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -152.33 145.72 24.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.816 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.457 HD22 ' CD2' ' A' ' 69' ' ' LEU . 8.6 tp -75.86 -55.62 5.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.52 ' CZ2' ' HG3' ' A' ' 13' ' ' GLU . 17.8 p-90 -40.25 -36.95 0.58 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.52 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.7 OUTLIER -75.45 -40.76 57.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.7 t80 -60.43 -49.96 75.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.8 p -68.52 -38.58 79.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.162 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 1.6 ttp180 -65.22 -38.66 91.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -57.46 -45.48 84.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.9 mp -49.53 -43.39 45.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.507 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 19.2 mt -59.13 -31.24 68.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mt -99.61 -6.95 26.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -118.73 82.09 19.76 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.691 0.758 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -6.66 19.15 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.713 2.275 . . . . 0.0 112.322 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -83.75 -28.54 28.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.36 -43.88 5.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -66.39 123.05 18.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.6 t -114.76 88.28 2.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 46.13 34.0 5.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.6 mt -90.01 -36.29 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.854 0.359 . . . . 0.0 111.137 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.9 mt -130.63 169.82 15.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -145.42 147.73 32.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.518 ' CD2' ' HD2' ' A' ' 34' ' ' ARG . 9.2 m95 -90.47 102.0 14.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.72 -31.86 46.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -166.82 90.69 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.838 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.518 ' HD2' ' CD2' ' A' ' 31' ' ' TRP . 2.7 tpt180 -51.35 -34.63 34.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -67.81 -46.99 70.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -84.98 -3.85 58.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.437 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 63.56 24.1 67.52 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 59.8 mt -88.97 125.37 42.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 111.135 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.403 ' CZ ' ' HB2' ' A' ' 87' ' ' TYR . 13.8 p90 -128.4 160.27 32.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -122.11 153.86 38.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.4 t -102.83 86.0 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.2 t -55.07 -38.76 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.2 mttm -118.37 112.65 20.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.558 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 87.5 p -88.66 -20.09 25.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.33 -29.35 18.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.19 -32.42 29.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 28.7 tp -61.13 -50.46 73.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.436 ' HB2' ' N ' ' A' ' 62' ' ' TYR . . . -64.24 -46.74 82.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.073 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.3 mttp -53.16 -49.64 66.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.1 mmm -60.56 -45.48 93.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.892 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 30.0 t-105 -58.15 -54.78 43.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.468 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -43.62 -42.29 5.92 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -53.41 -41.66 66.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.453 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 15.4 mmm180 -68.27 -34.5 76.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -101.77 18.3 20.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER 36.44 33.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.895 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' LYS . 26.1 t-20 -96.42 93.26 6.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -59.66 -10.73 3.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.419 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 3.1 mmt180 -106.28 21.36 17.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.468 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 39.8 tpp -73.21 136.11 44.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 64' ' ' LYS . 2.4 p -153.23 144.99 23.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.558 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 7.4 t80 -41.92 -29.75 0.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.64 -42.13 78.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 61' ' ' THR . 2.8 mtpp -82.33 -29.6 30.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.3 tt -69.48 -42.55 74.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.1 m -61.49 -22.61 65.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.5 ptt180 -50.49 -33.55 21.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -86.53 -26.72 24.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.457 ' CD2' HD22 ' A' ' 11' ' ' LEU . 98.3 mt -64.89 -35.56 81.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.556 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -86.16 -25.92 25.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -75.93 -15.22 60.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.935 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.441 ' CD1' ' HB ' ' A' ' 77' ' ' ILE . 8.2 m-85 -78.23 -18.75 54.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.929 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.556 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 23.6 m-85 -68.99 -14.11 62.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.9 mtpp -86.97 -40.2 15.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 29.0 p -86.66 -14.93 41.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.62 -12.99 65.91 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.441 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 9.7 mm -44.42 -46.21 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.866 0.365 . . . . 0.0 111.085 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.2 mt -113.92 172.44 6.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -125.75 125.33 42.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.06 122.52 13.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.5 t -114.91 145.94 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.02 28.72 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.889 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -135.29 136.77 41.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 86' ' ' VAL . 6.8 ptt-85 -67.95 161.46 26.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 84' ' ' ARG . 8.6 mp 37.02 30.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.469 ' N ' ' O ' ' A' ' 84' ' ' ARG . 70.9 t -137.76 107.1 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.403 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 16.6 m-85 -114.74 168.3 10.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -149.67 127.6 11.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 97.6 m-85 -67.56 135.09 52.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -81.22 -147.07 5.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.462 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.68 -24.38 19.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.83 0.348 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -64.68 -31.57 72.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.32 153.91 39.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.1 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -139.81 166.54 24.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 96.39 -39.22 2.87 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.437 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 23.3 p-90 -85.43 -36.53 20.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.68 0.276 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -52.88 160.46 0.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.922 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.43 154.34 17.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -122.92 169.28 11.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.418 ' HD3' ' N ' ' A' ' 100' ' ' LYS . 0.0 OUTLIER -95.07 159.9 14.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.88 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.9 pp -119.15 128.64 54.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.5 t -170.13 -59.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -90.71 146.45 18.47 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.486 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 114.94 3.88 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.656 2.237 . . . . 0.0 112.343 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.65 163.67 30.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 72.8 m -79.89 168.05 19.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.1 p -105.59 85.06 2.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 110.861 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.8 p -138.84 41.93 2.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.7 177.99 47.75 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.1 p -68.5 -36.0 78.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 110.892 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.1 137.33 3.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.855 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.46 144.8 4.17 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.462 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.23 168.63 19.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 0.0 110.857 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.5 m -115.54 -40.9 3.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.831 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.419 ' HB3' ' CD1' ' A' ' 12' ' ' TRP . 27.0 m-70 -90.69 127.0 36.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 14' ' ' PHE . 26.4 tp -56.61 -56.34 22.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.546 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 29.5 p-90 -40.19 -35.15 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.546 ' HG2' ' CH2' ' A' ' 12' ' ' TRP . 1.0 OUTLIER -75.46 -38.88 59.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -64.24 -52.82 56.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.431 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 6.2 p -63.36 -36.06 74.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.494 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 4.1 ttp180 -69.17 -47.85 63.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -53.15 -33.58 53.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.434 ' CD2' ' HB2' ' A' ' 25' ' ' ASN . 16.4 mt -63.55 -46.36 86.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.478 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 13.0 mt -59.71 -30.98 69.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.7 mt -90.94 -15.82 29.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.9 m -114.7 81.31 7.06 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.628 0.728 . . . . 0.0 110.817 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -2.29 9.94 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -88.52 -25.6 22.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.35 -41.63 6.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.434 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . 7.1 t30 -72.94 132.44 43.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.412 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 1.8 t -116.44 88.22 2.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 45.57 42.28 10.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.458 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.493 ' CD1' ' SD ' ' A' ' 50' ' ' MET . 23.1 mt -95.1 -29.85 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 111.129 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 mt -141.93 168.18 20.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -139.8 147.53 40.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.478 ' CE2' ' HB3' ' A' ' 19' ' ' LEU . 10.5 m95 -86.77 102.18 14.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 3.3 mm-40 -80.62 -29.87 36.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.547 ' CG ' ' NE2' ' A' ' 36' ' ' GLN . 47.4 m-20 -162.06 104.22 1.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.5 mmm-85 -65.95 -41.62 91.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -54.63 38.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.547 ' NE2' ' CG ' ' A' ' 33' ' ' ASP . 17.1 mt-30 -75.11 -26.49 59.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.435 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 85.93 25.53 37.53 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.481 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 38.4 mt -86.78 138.26 19.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.885 0.374 . . . . 0.0 111.09 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 14.9 p90 -142.32 158.24 43.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.9 ttt180 -119.36 143.04 47.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.819 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.9 t -87.52 85.92 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.8 t -55.19 -50.43 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -111.69 85.45 2.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.515 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 81.1 p -64.22 -16.08 61.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -84.65 -53.39 5.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.32 -30.46 71.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.447 HD21 ' CE1' ' A' ' 62' ' ' TYR . 8.6 tp -60.65 -49.3 78.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.93 -50.99 60.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -49.8 -50.61 44.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.493 ' SD ' ' CD1' ' A' ' 28' ' ' ILE . 60.3 mtp -60.63 -49.19 78.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.445 ' CD1' HD12 ' A' ' 65' ' ' LEU . 26.9 t-105 -53.41 -47.39 69.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.456 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -52.13 -46.37 56.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.538 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -53.8 -30.65 45.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.792 0.329 . . . . 0.0 110.915 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -74.49 -40.03 62.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.39 5.18 52.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 52' ' ' GLY . 8.0 mtmt 60.08 29.67 19.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -97.0 85.46 3.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.79 -19.19 3.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -103.44 32.22 3.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.456 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 46.1 tpp -79.45 131.91 36.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.6 t -152.02 138.54 18.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.078 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.515 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 4.0 t80 -38.86 -35.88 0.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -56.88 -45.15 82.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -84.98 -39.91 17.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.445 HD12 ' CD1' ' A' ' 51' ' ' TRP . 4.7 tt -55.44 -45.43 76.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 64.0 p -50.83 -32.48 20.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.41 -41.28 13.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.01 -32.24 61.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.072 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.441 ' HA ' ' CD1' ' A' ' 78' ' ' LEU . 57.2 mt -65.43 -33.36 75.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.553 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 4.7 mmm180 -87.89 -20.95 25.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -83.63 -21.44 32.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -70.68 -28.53 64.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.553 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 24.8 m-85 -57.95 -28.38 64.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -68.79 -37.2 79.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.1 p -90.77 -23.83 20.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.19 -22.18 27.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.468 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 25.2 mm -38.24 -45.06 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.369 . . . . 0.0 111.125 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.468 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 9.9 mt -111.93 165.93 11.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -119.72 123.09 42.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.41 125.03 16.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 82' ' ' ASP . 92.8 t -123.31 138.42 53.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.405 ' N ' HG12 ' A' ' 81' ' ' VAL . 1.1 m-20 -101.67 30.65 4.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.07 175.85 5.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -84.45 121.31 27.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.8 mp 41.94 40.84 1.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 75.2 t -121.92 110.49 27.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -114.38 168.18 10.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -150.55 136.51 18.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 92.9 m-85 -74.47 124.87 27.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -71.47 -155.85 2.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.45 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.19 -22.57 22.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.81 -34.83 79.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.95 162.28 29.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -146.49 178.78 8.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.85 -35.67 4.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.5 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.435 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 41.4 p-90 -88.11 -41.96 12.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.733 0.302 . . . . 0.0 110.942 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -46.81 157.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -142.27 119.25 11.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.88 165.87 11.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -50.79 172.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.8 135.34 34.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.89 151.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 139.48 -159.51 25.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.452 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 120.67 7.42 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.691 2.261 . . . . 0.0 112.303 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 50.6 p -156.14 161.74 40.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.2 t 42.18 47.09 3.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.1 t -143.63 42.5 1.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.31 110.65 21.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.26 -174.48 50.18 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.462 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.0 p -161.2 130.22 4.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.892 0.377 . . . . 0.0 110.865 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.07 113.33 26.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.06 -56.39 0.21 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.5 p -108.81 166.11 11.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.909 0.385 . . . . 0.0 110.847 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.5 m -158.48 119.33 3.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.841 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -110.82 130.27 55.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 tp -53.05 -56.43 16.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.5 ' CZ2' ' HG3' ' A' ' 13' ' ' GLU . 17.6 p-90 -41.78 -36.85 1.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.5 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -76.61 -41.22 46.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -61.11 -57.87 10.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 16' ' ' ARG . 7.3 p -58.55 -40.38 78.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.511 ' HB2' ' CE1' ' A' ' 89' ' ' PHE . 4.9 ttp180 -62.29 -43.46 98.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.57 -51.05 61.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.9 mp -44.81 -44.58 9.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.48 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 41.3 mt -57.56 -36.51 71.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.7 mt -94.61 -6.13 44.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -120.42 82.2 31.85 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.638 0.732 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -10.71 29.24 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.256 . . . . 0.0 112.364 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -79.84 -24.73 41.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.39 -45.22 4.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -65.24 119.88 11.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.11 85.34 2.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.55 37.02 25.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.45 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.0 mt -97.42 -23.21 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.874 0.368 . . . . 0.0 111.15 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.2 mt -142.27 167.77 21.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -146.76 146.97 30.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.48 ' CZ2' HD13 ' A' ' 19' ' ' LEU . 7.6 m95 -90.44 98.83 12.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -77.67 -30.76 52.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.87 105.47 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -40.38 83.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -54.02 50.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -76.17 -30.09 57.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.481 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 91.27 27.2 18.94 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.443 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.7 mt -88.98 132.94 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.895 0.379 . . . . 0.0 111.116 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.54 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 33.6 p90 -131.68 158.55 40.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.422 ' HG2' ' N ' ' A' ' 41' ' ' VAL . 43.3 ttt180 -118.82 149.96 40.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.422 ' N ' ' HG2' ' A' ' 40' ' ' ARG . 99.1 t -99.63 84.11 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.4 t -53.55 -47.69 59.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.9 mttm -114.45 104.61 12.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.525 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 83.6 p -76.88 -27.55 55.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -77.69 -43.61 30.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.63 -37.43 76.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.065 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 36.7 tp -56.22 -48.11 77.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.477 ' CB ' ' N ' ' A' ' 62' ' ' TYR . . . -70.72 -50.98 30.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.078 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.03 -48.32 43.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.4 mmm -66.03 -44.6 84.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.427 ' CD1' ' HE2' ' A' ' 60' ' ' MET . 24.2 t-105 -52.55 -54.61 30.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 56' ' ' LYS . . . -48.94 -47.94 31.32 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -48.97 -38.07 22.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.748 0.308 . . . . 0.0 110.877 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -71.7 -41.19 68.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.834 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.93 -2.71 58.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 52' ' ' GLY . 0.4 OUTLIER 52.34 30.82 8.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.841 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -58.67 -88.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -179.44 -55.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 60' ' ' MET . 0.8 OUTLIER -149.61 37.77 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 59' ' ' ARG . 31.0 tpp -34.51 140.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.897 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 63' ' ' GLU . 0.7 OUTLIER -138.96 141.69 38.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.186 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.525 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 8.4 t80 -37.4 -32.37 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.964 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 61' ' ' THR . 2.2 tt0 -61.05 -47.27 87.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 61' ' ' THR . 2.4 mtpp -80.86 -35.63 32.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.6 tt -62.33 -42.87 99.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.959 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.7 p -54.95 -31.08 60.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.46 ' CG ' ' N ' ' A' ' 68' ' ' ALA . 12.9 ptt180 -47.14 -45.61 22.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.46 ' N ' ' CG ' ' A' ' 67' ' ' ARG . . . -74.09 -38.64 63.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.505 HD11 ' CZ ' ' A' ' 87' ' ' TYR . 90.3 mt -51.6 -42.16 61.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.564 ' HA ' ' CD2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -83.68 -21.14 32.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -74.66 -26.56 59.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -69.25 -24.27 63.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.564 ' CD2' ' HA ' ' A' ' 70' ' ' ARG . 23.3 m-85 -61.97 -8.58 5.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -95.64 -27.46 15.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.6 p -98.66 -13.65 20.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.34 -20.64 49.43 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 13.9 mm -41.33 -45.95 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.888 0.375 . . . . 0.0 111.141 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.8 mt -114.68 172.29 7.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -129.97 125.48 35.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.65 129.65 43.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 82' ' ' ASP . 45.3 t -118.72 143.98 28.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.426 ' N ' HG12 ' A' ' 81' ' ' VAL . 2.5 m-20 -94.31 32.28 1.57 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.3 -175.13 2.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 21.5 ttp180 -106.74 127.91 53.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.2 mp 49.79 37.0 12.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 92.3 t -132.73 109.19 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.505 ' CZ ' HD11 ' A' ' 69' ' ' LEU . 34.4 m-85 -110.04 173.9 6.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -151.66 134.98 16.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.932 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.54 ' CE2' ' CD1' ' A' ' 39' ' ' PHE . 89.8 m-85 -77.02 124.19 27.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.844 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -71.13 -152.66 1.07 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.524 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.53 -25.64 20.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.78 0.324 . . . . 0.0 110.857 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.84 -34.41 73.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.406 ' HB2' ' CE3' ' A' ' 12' ' ' TRP . . . -77.74 138.45 39.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.083 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 31.5 p80 -129.57 119.64 23.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 160.65 -41.09 0.43 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.498 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.481 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 61.2 p-90 -84.93 -53.99 4.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.761 0.315 . . . . 0.0 110.893 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.451 ' N ' ' CG ' ' A' ' 96' ' ' TRP . 0.0 OUTLIER -52.21 149.22 5.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.926 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.46 111.33 2.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 58.35 178.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.53 145.2 24.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.3 mt 177.93 126.08 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.1 m 62.95 95.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 158.38 78.08 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -10.73 29.29 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.689 2.259 . . . . 0.0 112.342 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 46.5 t 62.95 154.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 72.6 p -162.56 101.1 1.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.485 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.47 113.03 0.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.89 0.376 . . . . 0.0 110.881 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.34 92.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.91 99.99 1.21 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.8 t -163.71 148.65 10.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.75 88.34 1.05 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.32 -53.68 0.48 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.453 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 91.8 p -59.48 142.48 52.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 110.892 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.8 p 178.62 -53.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 60.76 124.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 14' ' ' PHE . 27.0 tp -54.87 -57.66 10.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 72' ' ' TYR . 18.5 p-90 -40.79 -32.6 0.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.9 -39.9 33.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.437 ' CD1' ' N ' ' A' ' 15' ' ' VAL . 1.5 t80 -61.73 -57.32 12.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.437 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 6.2 p -58.33 -43.55 86.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.166 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.541 ' HB2' ' CE1' ' A' ' 89' ' ' PHE . 1.9 ttp180 -60.31 -37.33 80.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -57.92 -50.51 73.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.0 mp -44.28 -45.06 8.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.948 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.5 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 34.0 mt -58.72 -38.13 77.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.0 mt -92.07 -6.33 51.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.4 m -122.07 81.62 43.7 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.691 0.758 . . . . 0.0 110.823 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -5.61 16.6 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.683 2.255 . . . . 0.0 112.383 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -84.66 -26.27 27.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.7 -46.45 4.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -62.88 120.95 12.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.12 87.17 2.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.15 41.56 30.56 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.527 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.7 mt -100.46 -35.55 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.869 0.366 . . . . 0.0 111.126 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.5 mt -130.59 174.51 9.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.461 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 1.0 OUTLIER -147.97 142.86 26.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.5 ' CE2' ' HB3' ' A' ' 19' ' ' LEU . 5.9 m95 -87.18 93.21 9.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.95 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.66 -34.08 69.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -159.73 112.54 2.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.427 ' HB3' ' NH1' ' A' ' 34' ' ' ARG . 5.6 mmm180 -70.84 -40.05 72.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.58 -51.58 64.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -76.47 -34.53 58.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.442 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 93.47 24.61 20.89 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.429 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 12.5 mt -84.94 134.93 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.866 0.365 . . . . 0.0 111.132 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.494 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 49.5 p90 -134.55 151.15 50.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -112.17 145.57 39.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 92.9 t -91.15 84.04 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.461 ' CG2' ' HG3' ' A' ' 30' ' ' GLU . 68.2 t -53.04 -50.8 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -115.41 91.09 3.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.461 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 82.7 p -63.18 -23.88 67.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.836 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -80.71 -52.73 7.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.73 -32.86 72.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.116 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 34.1 tp -56.8 -51.41 69.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.12 -38.87 72.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.046 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.2 -49.04 75.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -65.56 -47.91 74.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 27.8 t-105 -52.88 -57.01 11.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.43 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -44.64 -44.17 8.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -57.88 -31.86 67.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.808 0.337 . . . . 0.0 110.901 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -73.16 -35.68 66.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.93 4.33 53.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.15 30.17 19.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -105.06 137.7 42.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.15 -4.82 28.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -106.37 24.45 12.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.43 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 39.9 tpp -79.89 134.22 36.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 62' ' ' TYR . 14.5 t -160.4 137.46 9.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.168 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.461 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 8.3 t80 -34.53 -43.65 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -49.78 -49.37 48.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 61' ' ' THR . 54.2 mttm -81.7 -42.86 19.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.0 tt -52.55 -38.79 60.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 69' ' ' LEU . 20.0 m -55.67 -34.73 65.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -43.85 -41.01 4.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.566 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -73.13 -31.81 64.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.046 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 66' ' ' SER . 85.4 mt -65.98 -37.01 84.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.42 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 3.2 mtt-85 -86.52 -21.25 27.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -82.7 -19.46 38.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.566 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 12.9 m-85 -73.62 -26.34 60.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.951 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.45 ' CD2' ' HD2' ' A' ' 80' ' ' ARG . 23.6 m-85 -59.42 -31.95 69.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.8 -44.85 88.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 46.3 p -84.55 -14.22 49.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 95.49 -14.58 64.75 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.5 mm -43.08 -40.6 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 111.129 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.6 mt -117.39 160.96 20.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.72 117.81 30.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.45 ' HD2' ' CD2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -46.44 129.37 10.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.445 ' CG1' ' O ' ' A' ' 86' ' ' VAL . 84.7 t -120.36 139.15 48.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.57 32.68 3.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -117.02 -175.53 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -97.9 120.95 39.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.466 ' N ' HD21 ' A' ' 85' ' ' LEU . 3.8 mm? 46.67 38.0 5.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.445 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 18.7 t -126.01 105.25 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.13 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -108.0 170.57 7.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -151.93 135.84 16.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.894 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.541 ' CE1' ' HB2' ' A' ' 16' ' ' ARG . 99.0 m-85 -73.74 134.59 43.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.836 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -81.0 -156.64 14.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -22.8 27.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.812 0.339 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -66.13 -30.77 71.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.447 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . . . -81.76 130.67 35.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -117.85 165.65 13.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 104.68 -42.1 1.98 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.442 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 47.1 p-90 -79.83 -40.16 29.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.699 0.285 . . . . 0.0 110.901 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.47 164.64 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -48.59 100.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.27 165.92 16.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -131.26 135.94 47.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.944 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -112.25 41.83 1.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.8 t -168.58 138.75 2.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 55.97 74.26 0.34 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.484 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 91.76 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.605 2.203 . . . . 0.0 112.368 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.1 p 172.92 -42.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.68 -57.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 -179.95 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -162.66 97.57 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.868 0.366 . . . . 0.0 110.853 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.3 p -153.56 112.74 3.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.97 179.97 32.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.74 145.74 46.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.364 . . . . 0.0 110.853 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m -110.88 147.35 34.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.5 78.84 0.33 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.28 134.74 44.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 110.862 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 t -133.92 123.56 24.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 72.13 131.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.6 tp -60.27 -53.32 59.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.424 ' CZ2' ' HG3' ' A' ' 13' ' ' GLU . 10.6 p-90 -43.52 -31.51 0.73 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.424 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.7 OUTLIER -80.66 -39.45 27.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -64.88 -51.19 63.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.6 p -63.18 -34.11 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.429 ' HE ' ' N ' ' A' ' 17' ' ' ASP . 2.7 ttp180 -71.61 -48.28 49.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.832 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.429 ' N ' ' HE ' ' A' ' 16' ' ' ARG . 11.3 t70 -53.37 -36.18 61.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.46 HD23 ' CE ' ' A' ' 50' ' ' MET . 9.0 mt -57.76 -42.66 84.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.7 mt -62.84 -39.74 95.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.4 mt -81.91 -16.87 49.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.7 m -111.91 81.11 3.37 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.653 0.739 . . . . 0.0 110.832 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -3.56 12.32 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.637 2.224 . . . . 0.0 112.349 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -90.14 -23.85 21.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.31 -38.52 7.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 26' ' ' CYS . 5.7 t30 -75.84 133.36 40.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.459 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 5.5 t -116.43 85.99 2.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 44.73 42.6 7.69 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.1 mt -97.2 -28.45 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.866 0.365 . . . . 0.0 111.142 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.5 mt -135.23 170.99 15.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -146.64 151.0 36.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.514 ' CD1' ' HD3' ' A' ' 34' ' ' ARG . 10.5 m95 -96.7 115.49 27.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -88.0 -38.17 15.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -165.68 83.19 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.514 ' HD3' ' CD1' ' A' ' 31' ' ' TRP . 5.5 mmm180 -38.75 -48.34 1.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -47.3 -54.85 9.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -78.02 -16.53 58.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.927 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.536 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 78.53 18.21 76.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.474 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 36.6 mt -82.22 133.57 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.579 ' CE1' ' CE1' ' A' ' 89' ' ' PHE . 26.9 p90 -137.52 154.32 49.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -114.46 141.91 47.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.3 t -94.16 85.3 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.1 t -52.47 -51.48 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -108.39 101.57 10.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.8 p -77.24 -25.36 51.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -80.85 -36.94 30.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.16 -37.14 58.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.7 tp -54.95 -45.62 74.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.98 -49.14 30.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -48.93 -45.85 42.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.46 ' CE ' HD23 ' A' ' 18' ' ' LEU . 2.8 mmm -68.03 -44.88 75.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.831 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 27.1 t-105 -55.87 -52.67 63.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.423 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -46.99 -47.13 20.05 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.53 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -52.73 -31.56 38.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.777 0.322 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -75.46 -35.98 60.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.14 10.89 40.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 54.19 31.44 14.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 -97.3 86.61 3.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -55.94 -19.79 13.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -103.32 28.33 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.423 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 23.5 tpp -74.61 133.89 42.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.3 t -152.71 143.86 23.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.18 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -42.32 -28.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -64.0 -43.54 95.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -85.05 -35.2 22.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.5 tt -60.28 -39.23 86.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 69' ' ' LEU . 33.3 p -55.42 -33.94 63.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.406 ' CG ' ' N ' ' A' ' 68' ' ' ALA . 3.1 ptt85 -41.66 -43.13 2.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.597 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -74.3 -32.42 62.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 66' ' ' SER . 40.9 mt -67.19 -32.35 73.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.57 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 1.1 mmm180 -85.15 -24.01 28.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -86.46 -15.11 41.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 10.7 m-85 -78.77 -11.07 59.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.57 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 21.1 m-85 -72.81 -55.25 6.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.64 -42.44 78.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 p -74.91 -18.13 60.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.03 -13.18 68.32 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.471 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.7 mm -47.45 -41.87 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.797 0.332 . . . . 0.0 111.153 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.6 mt -116.43 170.07 8.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.31 123.51 42.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.22 120.83 9.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 89.3 t -118.77 141.22 39.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -93.99 44.75 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -130.89 179.38 6.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.7 ttm-85 -104.86 134.62 47.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.467 ' N ' HD13 ' A' ' 85' ' ' LEU . 6.3 mp 47.83 33.16 3.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 88.8 t -132.56 109.84 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -115.47 172.41 7.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -151.11 133.9 15.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.579 ' CE1' ' CE1' ' A' ' 39' ' ' PHE . 96.5 m-85 -75.33 123.75 25.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.79 -150.1 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.0 -13.47 26.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.77 0.319 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -75.76 -31.03 59.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.48 127.86 34.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.082 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -115.71 143.72 44.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 123.51 -40.59 1.94 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.536 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 37.0 p-90 -84.35 -42.65 15.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.676 0.274 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.453 ' N ' ' CD2' ' A' ' 96' ' ' TRP . 0.8 OUTLIER -45.82 165.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 53.93 178.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.442 ' N ' ' OD1' ' A' ' 99' ' ' ASP . 0.7 OUTLIER 62.68 149.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 99' ' ' ASP . 2.4 tttm 38.21 67.76 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -139.91 142.86 36.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.5 m -179.52 101.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -150.98 156.27 26.58 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -38.81 7.24 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.695 2.263 . . . . 0.0 112.318 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.9 m -117.07 164.24 15.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.06 160.82 37.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 t -146.58 -46.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.922 0.391 . . . . 0.0 110.889 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.7 m -90.31 152.82 20.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.834 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.2 163.6 24.85 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.468 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 m -70.0 155.01 41.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.912 0.386 . . . . 0.0 110.823 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 t -108.81 109.21 20.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.836 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.45 137.69 5.9 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.83 145.8 50.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.885 0.374 . . . . 0.0 110.855 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.94 -167.2 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 59.06 157.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.817 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.565 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 1.5 tm? -75.91 -54.33 7.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.571 ' CZ2' ' HG3' ' A' ' 13' ' ' GLU . 20.1 p-90 -52.29 -44.48 65.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.571 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -69.67 -45.16 69.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.833 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 51' ' ' TRP . 3.0 t80 -48.51 -55.11 11.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.6 p -66.64 -23.6 31.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 3.6 ttp180 -77.79 -34.57 52.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 21' ' ' SER . 21.2 t70 -61.99 -51.37 68.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.435 ' CD2' HD11 ' A' ' 28' ' ' ILE . 8.1 mp -43.77 -44.0 6.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.403 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 62.0 mt -60.41 -36.31 77.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mt -93.19 -9.69 38.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 17' ' ' ASP . 4.7 m -121.39 85.7 42.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.643 0.735 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -8.93 24.87 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.698 2.265 . . . . 0.0 112.356 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -78.1 -29.97 49.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.06 -42.35 6.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -67.71 118.52 11.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.38 84.82 2.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.17 36.89 57.83 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.435 HD11 ' CD2' ' A' ' 18' ' ' LEU . 18.1 mt -96.42 -39.91 9.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.899 0.38 . . . . 0.0 111.127 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.66 171.51 12.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.461 ' CG ' ' HB3' ' A' ' 40' ' ' ARG . 4.4 pt-20 -148.74 151.36 34.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.495 ' CD2' ' HD2' ' A' ' 34' ' ' ARG . 27.9 m95 -91.61 125.14 36.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -99.37 -49.77 4.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -149.31 71.04 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.495 ' HD2' ' CD2' ' A' ' 31' ' ' TRP . 5.6 tpt180 -34.44 -42.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -53.23 -51.53 61.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 33' ' ' ASP . 4.1 mt-30 -78.56 -26.67 45.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.24 27.22 21.38 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.445 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.458 HG21 ' N ' ' A' ' 39' ' ' PHE . 21.5 mt -94.48 138.15 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.841 0.353 . . . . 0.0 111.154 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.458 ' N ' HG21 ' A' ' 38' ' ' ILE . 46.8 p90 -140.76 152.66 45.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.461 ' HB3' ' CG ' ' A' ' 30' ' ' GLU . 42.0 ttt180 -111.61 148.05 34.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.9 t -94.43 83.77 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 77.5 t -48.91 -57.27 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -110.76 100.37 9.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.868 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.571 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 89.6 p -68.68 -28.22 66.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -75.67 -53.28 8.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.7 -37.47 81.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 49.6 tp -57.53 -46.98 83.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.91 -52.11 13.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -45.92 -48.82 16.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.24 -47.08 78.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.563 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 20.8 t-105 -52.8 -55.83 20.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.03 -47.1 15.04 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.525 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -50.06 -33.66 19.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 0.0 110.913 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -69.44 -41.83 75.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.66 3.96 51.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 47.21 48.9 15.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.49 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 32.5 t30 -93.5 -43.39 8.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 0.3 OUTLIER 82.93 -37.04 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -101.0 39.52 1.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 54.5 tpp -91.1 138.44 31.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 62' ' ' TYR . 8.8 t -157.47 144.99 18.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.141 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.571 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 4.2 t80 -36.11 -50.39 0.71 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -44.65 -44.97 9.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -83.8 -48.43 10.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.1 tt -45.7 -44.31 13.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.7 p -49.51 -35.18 19.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -44.19 -40.5 5.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.931 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.599 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -74.69 -34.23 62.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.556 HD11 ' CE2' ' A' ' 87' ' ' TYR . 75.3 mt -65.66 -35.02 79.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.49 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 9.2 mtm180 -83.23 -28.36 29.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.413 ' CD1' ' CE ' ' A' ' 74' ' ' LYS . 67.5 t80 -77.83 -15.19 59.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 14.2 m-85 -80.48 -21.53 41.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.49 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 23.3 m-85 -64.5 -34.42 78.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.413 ' CE ' ' CD1' ' A' ' 71' ' ' TYR . 4.3 mtmp? -63.37 -49.83 72.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.9 p -76.8 -24.73 52.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.27 -14.49 47.65 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.529 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.5 mm -43.09 -39.98 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.453 ' CD1' ' HA ' ' A' ' 69' ' ' LEU . 10.1 mt -117.24 159.29 22.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.27 119.5 37.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -52.76 115.08 1.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.467 HG11 ' N ' ' A' ' 82' ' ' ASP . 74.4 t -106.48 141.74 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.467 ' N ' HG11 ' A' ' 81' ' ' VAL . 2.0 m-20 -101.97 33.58 2.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.1 mtt85 -119.05 175.67 5.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.407 ' O ' ' CG2' ' A' ' 86' ' ' VAL . 16.6 ttp180 -85.81 128.16 34.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.428 HD11 ' N ' ' A' ' 85' ' ' LEU . 10.2 mp 37.92 43.0 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.951 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.407 ' CG2' ' O ' ' A' ' 84' ' ' ARG . 81.8 t -128.89 107.69 16.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.556 ' CE2' HD11 ' A' ' 69' ' ' LEU . 31.4 m-85 -109.4 169.64 8.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.3 tttm -151.88 135.29 16.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 80.4 m-85 -73.67 130.29 39.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.875 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.77 -154.27 6.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.51 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.85 -25.53 20.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.769 0.319 . . . . 0.0 110.86 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -34.65 75.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.88 177.94 6.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 20.5 p80 -162.02 174.04 13.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 96.31 -45.16 1.93 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.565 ' CZ2' ' HG3' ' A' ' 97' ' ' GLN . 46.3 p-90 -76.25 -45.53 32.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.685 0.279 . . . . 0.0 110.941 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.565 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 1.7 mt-30 -45.69 170.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.99 145.43 32.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 100' ' ' LYS . 0.7 OUTLIER -132.12 161.29 33.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 99' ' ' ASP . 1.5 mttt -34.38 148.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -151.55 177.95 9.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 79.2 p -110.77 173.25 6.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -57.02 145.99 36.63 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -47.06 1.02 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.724 2.283 . . . . 0.0 112.332 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.1 m 49.12 76.87 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.858 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.6 t -160.21 154.85 24.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.54 42.34 27.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.861 0.362 . . . . 0.0 110.865 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 4' ' ' GLY . 0.1 OUTLIER -111.49 127.35 55.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.831 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 35.74 -107.99 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.2 p -172.57 108.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 110.823 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.58 169.08 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.96 81.52 0.42 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.34 149.7 30.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.932 0.396 . . . . 0.0 110.79 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.6 p -125.14 108.74 12.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.464 ' O ' ' N ' ' A' ' 13' ' ' GLU . 94.0 m-70 -137.15 129.61 29.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.518 HD23 ' CE2' ' A' ' 51' ' ' TRP . 2.4 tm? -36.84 -63.49 0.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.534 ' HB3' ' CE2' ' A' ' 72' ' ' TYR . 26.8 p-90 -45.79 -34.96 4.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.963 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.507 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -76.84 -40.71 46.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.461 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 0.9 OUTLIER -58.7 -51.57 69.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.423 HG13 ' N ' ' A' ' 16' ' ' ARG . 4.2 p -61.48 -40.51 86.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.105 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.423 ' N ' HG13 ' A' ' 15' ' ' VAL . 2.1 ttp180 -65.03 -49.63 69.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.413 ' N ' ' HE ' ' A' ' 16' ' ' ARG . 32.8 t0 -52.29 -37.98 57.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 25' ' ' ASN . 13.2 mt -54.41 -45.84 73.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.463 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . 13.6 mt -60.8 -42.8 98.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.6 mt -80.13 -13.32 59.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.2 m -118.82 83.77 23.67 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.654 0.74 . . . . 0.0 110.852 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -9.75 26.88 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.36 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -77.27 -29.04 53.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.78 -40.76 7.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.944 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.469 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . 14.4 t30 -76.04 128.69 35.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.5 87.21 2.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.23 39.82 28.39 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.5 mt -92.59 -33.67 5.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 0.0 111.118 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.8 mt -134.13 172.68 12.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.457 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 3.1 mt-10 -143.61 143.11 31.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.466 ' CD2' ' HD2' ' A' ' 34' ' ' ARG . 16.3 m95 -87.5 96.13 10.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -78.45 -34.17 47.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.829 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -159.07 101.82 1.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.466 ' HD2' ' CD2' ' A' ' 31' ' ' TRP . 47.5 mmm-85 -65.81 -44.61 85.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.826 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.93 -49.15 78.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -75.99 -28.96 58.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.8 30.83 16.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.51 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.1 mt -97.11 136.96 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 111.112 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -140.49 151.05 44.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -111.49 146.41 37.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.844 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 81.0 t -92.47 82.49 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.457 ' CG2' ' HG3' ' A' ' 30' ' ' GLU . 97.2 t -49.91 -50.08 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.168 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.2 mttm -115.94 105.43 12.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.43 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 96.9 p -77.73 -15.93 58.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -89.74 -42.71 11.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.58 -37.78 77.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 30.2 tp -59.93 -47.22 86.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.73 -47.71 58.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -50.14 -46.55 54.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.3 mmm -69.25 -41.22 77.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.518 ' CE2' HD23 ' A' ' 11' ' ' LEU . 21.4 t-105 -57.89 -54.22 49.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.46 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -46.12 -48.65 14.8 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -49.59 -39.52 35.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 0.0 110.946 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -64.81 -36.24 83.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.2 14.61 31.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.01 33.13 8.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.441 ' C ' ' OD1' ' A' ' 57' ' ' ASN . 28.1 t-20 -96.39 86.02 4.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -54.08 -23.46 13.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.422 ' C ' ' OD1' ' A' ' 57' ' ' ASN . 0.8 OUTLIER -104.72 40.55 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.875 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.512 ' CE ' ' CD1' ' A' ' 51' ' ' TRP . 40.7 tpp -92.03 131.24 37.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.0 t -151.55 149.75 29.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.136 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.43 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 5.4 t80 -38.43 -53.88 1.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -42.24 -40.87 2.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -85.78 -51.43 6.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.945 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.0 tt -44.63 -45.64 9.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 69' ' ' LEU . 26.0 p -47.8 -35.69 10.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' A' ' 68' ' ' ALA . 11.7 ptt-85 -40.69 -40.68 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.529 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -79.51 -30.6 41.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.121 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 66' ' ' SER . 80.3 mt -67.59 -38.38 83.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.49 ' HA ' ' CD2' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -85.96 -23.46 26.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -80.26 -16.3 55.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 6.3 m-85 -77.26 -30.18 54.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.915 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.552 ' CD2' ' HD2' ' A' ' 80' ' ' ARG . 24.3 m-85 -56.59 -27.79 58.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -66.77 -44.95 80.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 33.6 p -84.99 -22.57 29.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 106.79 -18.04 37.93 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.8 mm -40.52 -41.23 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.842 0.353 . . . . 0.0 111.096 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.438 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 11.4 mt -116.46 165.13 13.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.95 120.21 32.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.552 ' HD2' ' CD2' ' A' ' 73' ' ' TYR . 2.3 ttt180 -61.48 120.81 11.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.3 t -112.62 135.49 51.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.62 39.78 0.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -119.49 -178.06 3.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 -100.88 119.27 38.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.438 ' N ' HD22 ' A' ' 85' ' ' LEU . 3.9 mm? 51.18 36.42 15.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 55.8 t -126.5 104.11 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -103.79 169.68 8.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -151.71 132.5 14.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -72.34 131.61 42.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.98 -151.03 4.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.447 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.83 -22.01 18.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.82 0.343 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -63.77 -32.03 73.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -82.36 132.49 35.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -123.3 133.13 54.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 149.4 -44.29 0.73 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.461 ' CG ' ' N ' ' A' ' 97' ' ' GLN . 59.1 p-90 -84.26 -54.94 4.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.686 0.279 . . . . 0.0 110.885 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.461 ' N ' ' CG ' ' A' ' 96' ' ' TRP . 0.0 OUTLIER -48.57 147.3 2.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.88 157.09 16.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.27 156.25 17.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -104.19 171.23 7.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 62.99 122.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.6 t -172.38 -59.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 95.0 -157.52 22.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.443 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -179.17 2.73 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.26 . . . . 0.0 112.321 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.2 p -73.15 145.04 46.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.0 p -132.02 97.46 4.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 -179.945 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -67.69 111.62 4.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 0.0 110.842 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.68 -57.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.13 -102.06 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 t -47.41 136.75 9.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.887 0.375 . . . . 0.0 110.849 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.15 132.13 0.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.795 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.96 -76.75 1.32 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.534 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.4 t -164.46 127.45 2.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.866 0.365 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 m -148.76 -40.85 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -146.37 130.18 17.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 14' ' ' PHE . 17.1 tp -53.97 -56.97 12.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.92 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.564 ' CE3' ' HB2' ' A' ' 93' ' ' ALA . 21.1 p-90 -40.59 -39.99 1.17 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.496 ' HG2' ' CH2' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -69.09 -40.98 78.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.459 ' CD1' ' N ' ' A' ' 15' ' ' VAL . 1.5 t80 -62.46 -58.49 7.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.459 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 2.3 p -61.18 -24.41 33.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.469 ' HB2' ' CE1' ' A' ' 89' ' ' PHE . 2.0 ttp180 -77.32 -41.8 39.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 21' ' ' SER . 27.0 t70 -56.24 -47.26 78.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.5 mp -48.54 -45.12 37.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.497 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 15.0 mt -62.23 -35.09 77.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.0 mt -95.58 -3.33 46.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 17' ' ' ASP . 3.2 m -125.32 83.98 60.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.724 0.773 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -4.22 13.64 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.652 2.235 . . . . 0.0 112.338 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -85.79 -26.9 25.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.07 -47.04 4.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -63.23 124.02 20.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.7 89.14 3.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 43.86 36.96 3.89 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.455 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.1 mt -94.4 -31.82 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.874 0.369 . . . . 0.0 111.143 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -133.66 170.59 15.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -145.1 145.39 31.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.517 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 5.9 m95 -90.04 104.23 16.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -81.32 -38.72 26.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.468 ' HB2' ' CG1' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -152.89 104.27 2.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.517 ' HD3' ' CG ' ' A' ' 31' ' ' TRP . 0.8 OUTLIER -68.25 -25.46 65.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.872 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -71.44 -51.13 25.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.434 ' O ' ' CE ' ' A' ' 88' ' ' LYS . 3.5 mt-30 -89.15 -16.68 30.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.556 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 85.7 31.72 20.53 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.461 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.468 ' CG1' ' HB2' ' A' ' 33' ' ' ASP . 8.4 mm -78.62 127.22 38.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.876 0.369 . . . . 0.0 111.105 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 87' ' ' TYR . 51.0 p90 -137.81 146.77 43.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.44 ' HG2' ' N ' ' A' ' 41' ' ' VAL . 6.0 ttt180 -115.82 148.83 39.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.44 ' N ' ' HG2' ' A' ' 40' ' ' ARG . 97.0 t -96.27 80.17 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.8 t -49.67 -52.24 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.1 mttm -110.06 91.5 3.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.489 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 35.0 p -67.47 -26.61 66.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -76.85 -38.38 53.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.17 -30.01 48.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.1 tp -61.86 -44.39 96.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.26 -46.08 43.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.23 -46.69 62.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.5 mmm -66.28 -48.95 68.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.477 ' CD1' HD11 ' A' ' 65' ' ' LEU . 17.1 t-105 -51.59 -54.93 22.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -48.08 -44.25 25.84 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.451 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -52.03 -31.74 31.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.788 0.327 . . . . 0.0 110.929 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -73.38 -37.01 66.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -95.62 8.54 43.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 40.66 48.96 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 43.1 t30 -92.68 -44.22 8.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 0.9 OUTLIER 83.64 -34.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -102.31 34.7 2.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 52.5 tpp -87.08 133.15 33.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.3 t -149.18 146.54 27.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.113 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.489 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 7.3 t80 -38.24 -49.65 1.38 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -48.11 -41.74 27.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -81.97 -48.36 11.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.477 HD11 ' CD1' ' A' ' 51' ' ' TRP . 4.7 tt -49.1 -51.48 31.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.924 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 69' ' ' LEU . 43.0 m -43.82 -37.91 3.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -42.65 -38.79 2.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.429 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -78.46 -29.62 46.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 66' ' ' SER . 69.1 mt -66.67 -33.52 75.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.496 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -86.54 -21.86 26.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -84.39 -20.43 31.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.429 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 8.6 m-85 -74.02 -19.72 60.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.957 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.496 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 23.6 m-85 -64.55 -23.98 67.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.902 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -76.76 -46.92 23.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.9 p -77.14 -15.95 59.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.01 -5.82 72.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.475 HG22 ' CG ' ' A' ' 12' ' ' TRP . 3.3 mm -54.01 -41.83 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.811 0.339 . . . . 0.0 111.127 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.428 ' CD1' ' HA ' ' A' ' 69' ' ' LEU . 7.1 mt -115.52 166.76 11.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.11 122.66 37.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.34 133.61 34.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.458 ' CG1' ' HB2' ' A' ' 83' ' ' ARG . 57.8 t -126.9 137.23 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.92 32.13 1.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.458 ' HB2' ' CG1' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -116.6 177.89 4.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.881 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.06 126.46 35.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.7 mp 40.99 44.55 2.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 83.1 t -129.64 118.44 45.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.563 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 25.4 m-85 -121.6 172.36 8.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.942 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.434 ' CE ' ' O ' ' A' ' 36' ' ' GLN . 7.5 tttt -151.27 141.85 22.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.469 ' CE1' ' HB2' ' A' ' 16' ' ' ARG . 95.9 m-85 -82.47 123.48 29.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.95 -146.29 0.28 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -93.87 -22.47 18.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.808 0.337 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -67.61 -28.39 67.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.564 ' HB2' ' CE3' ' A' ' 12' ' ' TRP . . . -86.16 139.51 31.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -119.56 164.98 15.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 102.9 -49.05 0.99 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.51 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.556 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 24.6 p-90 -75.49 -46.69 30.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.775 0.322 . . . . 0.0 110.907 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.527 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 1.3 mt-30 -46.23 148.86 0.81 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.84 156.03 30.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 58.31 154.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -166.67 135.6 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -121.35 151.98 39.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 37.2 m 42.91 39.33 1.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -106.03 87.71 0.53 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 -43.72 2.43 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.657 2.238 . . . . 0.0 112.366 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 79.7 p -169.36 -46.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 172.71 176.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.507 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.38 138.3 54.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 110.838 -179.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.52 103.39 4.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.84 163.43 0.11 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.98 -54.37 2.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.866 0.365 . . . . 0.0 110.888 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 50.59 42.71 27.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.67 140.1 6.53 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.2 p -139.45 123.52 17.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 0.0 110.887 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.9 p -159.65 45.73 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -133.95 135.44 43.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 14' ' ' PHE . 39.1 tp -60.96 -56.87 16.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.466 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 32.0 p-90 -40.22 -34.55 0.32 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.466 ' HG2' ' CH2' ' A' ' 12' ' ' TRP . 0.3 OUTLIER -75.18 -42.63 55.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.2 t80 -62.24 -54.37 41.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.7 p -60.05 -32.08 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.081 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.445 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 1.4 ttp180 -72.32 -44.31 62.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -56.45 -29.91 62.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 25' ' ' ASN . 12.0 mt -65.48 -39.69 92.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.456 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . 5.1 mt -65.73 -34.71 78.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.4 mt -86.74 -14.06 43.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.0 m -116.98 80.89 11.74 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.618 0.723 . . . . 0.0 110.832 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -5.41 16.15 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.652 2.235 . . . . 0.0 112.337 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -83.47 -28.09 29.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.85 -40.65 7.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.462 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . 9.6 t30 -73.69 131.28 41.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.8 t -116.48 85.41 2.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 48.79 44.81 31.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.47 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 51.4 mt -98.42 -25.91 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.358 . . . . 0.0 111.135 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.9 mt -140.53 168.41 19.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -140.79 147.04 38.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.456 ' NE1' ' HB3' ' A' ' 19' ' ' LEU . 12.2 m95 -93.38 98.08 10.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -79.64 -28.83 40.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -163.42 102.9 0.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -39.04 83.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -60.0 -51.12 71.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -78.34 -32.37 49.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.93 26.4 11.6 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.461 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.2 mt -88.35 141.86 13.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.851 0.358 . . . . 0.0 111.103 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.492 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 37.9 p90 -146.16 151.0 36.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -111.95 142.33 44.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.2 t -88.14 84.22 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.9 t -52.69 -53.09 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 37.1 mttm -111.93 95.27 5.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.563 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 77.8 p -68.04 -30.48 69.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -73.7 -47.55 38.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.13 -39.1 92.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.5 tp -54.23 -54.35 41.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.16 -49.55 71.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -49.3 -48.3 46.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.453 ' CE ' HD23 ' A' ' 18' ' ' LEU . 4.6 mmm -66.52 -50.71 62.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.568 ' CD1' HD12 ' A' ' 65' ' ' LEU . 21.0 t-105 -48.8 -57.6 6.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.01 -48.93 14.15 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -48.79 -31.87 7.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 110.945 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.409 ' HG3' ' CD2' ' A' ' 14' ' ' PHE . 5.4 mmm180 -74.21 -35.7 63.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.99 8.33 43.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 45.53 32.0 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 52.3 t-20 -75.57 -49.0 19.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 8.0 t0 83.72 -32.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 -103.22 30.39 4.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.434 ' CE ' ' CD1' ' A' ' 51' ' ' TRP . 53.3 tpp -81.25 140.79 34.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 62' ' ' TYR . 11.2 t -159.7 139.61 11.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.563 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 3.3 t80 -35.27 -41.56 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -51.98 -49.33 63.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 61' ' ' THR . 50.1 mttm -80.42 -42.63 22.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.568 HD12 ' CD1' ' A' ' 51' ' ' TRP . 1.5 tt -51.54 -48.0 63.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.3 p -45.38 -38.84 6.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.2 ptt-85 -42.98 -40.87 3.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.98 -34.24 57.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.093 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.446 HD12 ' CD2' ' A' ' 65' ' ' LEU . 45.1 mt -63.42 -43.38 97.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.563 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -81.87 -17.11 48.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.84 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -81.76 -21.93 37.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.452 ' CB ' ' HB2' ' A' ' 78' ' ' LEU . 10.9 m-85 -73.21 -26.54 61.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.563 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 21.6 m-85 -57.82 -23.86 54.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -78.28 -43.9 26.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.961 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.2 p -82.2 -8.03 59.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.43 -11.14 61.96 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.465 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.4 mm -47.06 -42.85 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 111.168 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.452 ' HB2' ' CB ' ' A' ' 72' ' ' TYR . 1.2 mp -110.31 -177.45 3.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.967 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -127.01 128.71 46.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -68.21 110.78 4.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 82' ' ' ASP . 41.9 t -113.61 141.81 28.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.436 ' N ' HG12 ' A' ' 81' ' ' VAL . 0.5 OUTLIER -98.33 45.5 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.902 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.63 -172.73 2.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.0 112.02 24.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.3 mp 60.07 34.99 21.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 44.8 t -125.33 108.16 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -112.93 168.82 9.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 79' ' ' GLU . 8.8 tttt -151.95 129.56 11.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.492 ' CE2' ' CE1' ' A' ' 39' ' ' PHE . 93.6 m-85 -69.2 125.53 26.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -71.15 -150.52 0.75 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.45 -15.42 22.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -71.14 -27.18 63.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.16 136.38 38.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.074 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 29.1 p80 -131.26 128.22 39.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 142.34 -32.43 1.97 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.428 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.437 ' CG ' ' N ' ' A' ' 97' ' ' GLN . 66.1 p-90 -89.57 -51.27 5.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.762 0.315 . . . . 0.0 110.889 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.437 ' N ' ' CG ' ' A' ' 96' ' ' TRP . 0.0 OUTLIER -48.42 169.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -117.08 44.92 1.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -173.0 151.25 2.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 101' ' ' LEU . 3.6 ttmm 61.31 152.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.433 ' N ' ' HG2' ' A' ' 100' ' ' LYS . 12.6 tp -152.31 90.06 1.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.909 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.83 157.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -129.86 -93.55 0.69 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.511 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 171.97 13.45 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.714 2.276 . . . . 0.0 112.394 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.1 t -165.16 159.01 17.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.829 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 34.2 p -136.96 177.11 8.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.559 HD11 HD11 ' A' ' 65' ' ' LEU . 15.0 tp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.816 0.341 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.436 ' CZ3' ' HB1' ' A' ' 93' ' ' ALA . 15.6 p-90 -40.77 -33.11 0.26 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -44.52 33.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.529 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 0.9 OUTLIER -61.83 -54.3 44.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.445 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 7.4 p -59.0 -34.9 54.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.546 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 5.7 ttp180 -71.54 -47.12 57.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -53.29 -37.42 62.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.529 HD11 ' CZ ' ' A' ' 14' ' ' PHE . 12.3 mt -58.76 -35.0 72.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.471 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . 26.6 mt -69.7 -30.63 68.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.2 mt -96.58 -2.75 44.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 m -126.13 81.47 66.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.682 0.753 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -9.87 27.19 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.637 2.225 . . . . 0.0 112.382 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.38 -27.8 38.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.07 -40.33 7.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.431 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . 14.0 t30 -76.92 129.31 36.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.3 85.43 2.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 48.91 47.95 31.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.5 mt -103.03 -29.61 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 111.136 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.564 HD23 ' HA ' ' A' ' 41' ' ' VAL . 6.4 mt -136.02 170.35 16.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.401 ' HG3' HG21 ' A' ' 42' ' ' VAL . 10.3 mt-10 -142.7 144.88 32.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.471 ' NE1' ' HB3' ' A' ' 19' ' ' LEU . 6.3 m95 -88.83 98.52 11.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -78.04 -30.49 49.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -158.36 110.69 2.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -39.31 66.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -66.68 -52.63 42.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.444 ' O ' ' CH2' ' A' ' 96' ' ' TRP . 7.4 mt-30 -74.69 -34.21 62.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.76 23.19 18.94 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.461 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.6 mt -84.32 134.97 25.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.853 0.358 . . . . 0.0 111.107 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.434 ' CZ ' ' HB2' ' A' ' 87' ' ' TYR . 11.9 p90 -137.3 156.38 48.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.473 ' HG2' ' N ' ' A' ' 41' ' ' VAL . 12.2 ttt180 -115.9 151.02 36.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.564 ' HA ' HD23 ' A' ' 29' ' ' LEU . 48.6 t -101.44 79.55 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.401 HG21 ' HG3' ' A' ' 30' ' ' GLU . 63.3 t -50.93 -46.04 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -114.51 89.63 3.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 86.3 p -66.84 -22.02 66.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -80.76 -48.5 12.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.08 -32.24 73.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.9 tp -57.14 -53.6 56.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.72 -51.11 53.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.23 -46.44 12.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.41 ' CE ' HD21 ' A' ' 18' ' ' LEU . 1.7 mmm -69.47 -41.56 76.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.687 ' CD1' HD12 ' A' ' 65' ' ' LEU . 21.5 t-105 -55.97 -55.07 37.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 56' ' ' LYS . . . -46.65 -50.56 14.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.499 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.37 -34.35 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.931 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -72.57 -34.01 67.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -101.97 7.44 41.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 52' ' ' GLY . 1.8 mttm 58.04 30.82 19.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -100.07 82.62 2.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.88 -24.45 6.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.6 mtt85 -96.87 29.33 3.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.432 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 48.0 tpp -85.17 133.15 34.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.566 HG22 ' HD3' ' A' ' 64' ' ' LYS . 11.1 t -152.78 154.12 34.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -39.53 -57.29 1.48 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -40.26 -41.74 1.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.566 ' HD3' HG22 ' A' ' 61' ' ' THR . 8.6 mtpp -80.08 -53.12 7.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.687 HD12 ' CD1' ' A' ' 51' ' ' TRP . 3.0 tt -45.42 -51.33 11.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 69' ' ' LEU . 9.4 p -44.02 -40.5 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.6 ptt-85 -40.07 -38.01 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.426 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -84.91 -28.57 25.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.544 HD21 HD21 ' A' ' 11' ' ' LEU . 87.8 mt -68.82 -31.89 71.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.487 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 3.0 mmt180 -90.16 -20.4 23.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -84.72 -15.79 43.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.426 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 5.8 m-85 -76.35 -23.39 54.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.487 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 22.9 m-85 -62.24 -24.55 67.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -74.2 -39.57 63.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.3 p -88.06 -22.17 24.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 102.69 -16.81 54.33 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.417 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 7.5 mm -41.87 -41.83 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.7 mt -116.67 167.74 10.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -126.07 121.14 32.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -61.03 134.11 56.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 49.7 t -122.89 152.02 27.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.31 33.88 1.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -120.8 -179.32 3.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.6 126.13 48.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.9 mp 52.18 34.61 14.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.9 t -125.58 115.0 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 4.8 m-85 -117.64 168.54 10.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -151.15 130.95 13.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.546 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 90.2 m-85 -69.33 129.06 38.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -72.06 -151.2 1.15 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -94.2 -23.98 17.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.805 0.336 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -62.54 -34.53 77.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.436 ' HB1' ' CZ3' ' A' ' 12' ' ' TRP . . . -74.31 158.25 34.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.112 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -137.17 173.2 11.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.71 -48.15 2.3 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.522 ' CZ2' ' HG3' ' A' ' 97' ' ' GLN . 23.4 p-90 -76.52 -40.0 51.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.752 0.31 . . . . 0.0 110.946 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.522 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 1.8 mt-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.822 HD13 ' C ' ' A' ' 11' ' ' LEU . 1.7 tm? . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.838 0.351 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.572 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 35.1 p-90 -56.06 -36.21 67.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.572 ' HG2' ' CH2' ' A' ' 12' ' ' TRP . 0.7 OUTLIER -72.95 -34.57 66.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.532 ' CE1' ' HB2' ' A' ' 51' ' ' TRP . 0.9 OUTLIER -64.44 -48.3 75.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.915 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.439 ' HA ' HD12 ' A' ' 18' ' ' LEU . 3.0 p -72.24 -19.19 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -82.92 -52.0 7.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -51.16 -38.78 54.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.488 HD21 ' CE ' ' A' ' 50' ' ' MET . 18.0 mt -52.2 -42.76 63.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.469 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . 7.9 mt -62.73 -33.82 75.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.953 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mt -90.74 -14.76 31.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.0 m -114.73 80.61 6.57 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.677 0.751 . . . . 0.0 110.834 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -11.19 30.32 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.351 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.88 -25.97 43.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.47 -42.39 5.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.469 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . 11.4 t30 -70.25 130.72 42.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.45 85.42 2.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.49 45.05 22.74 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 33.6 mt -98.78 -30.56 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.927 0.394 . . . . 0.0 111.148 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.404 HD21 HD13 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -138.02 171.08 14.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 179.889 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.417 ' CG ' ' HB3' ' A' ' 40' ' ' ARG . 5.3 pt-20 -146.81 154.42 41.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.548 ' NE1' ' NH1' ' A' ' 34' ' ' ARG . 14.4 m95 -97.97 103.59 15.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -85.62 -25.93 26.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.97 96.29 0.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.548 ' NH1' ' NE1' ' A' ' 31' ' ' TRP . 1.7 tpt180 -66.1 -36.28 82.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -58.25 -47.35 83.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -85.08 -27.74 26.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.506 ' HA3' ' CH2' ' A' ' 96' ' ' TRP . . . 92.76 27.32 14.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.519 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.9 mt -90.88 142.18 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 111.155 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.559 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 34.9 p90 -148.16 150.07 33.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.417 ' HB3' ' CG ' ' A' ' 30' ' ' GLU . 35.7 ttt180 -111.39 147.49 35.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.0 t -94.14 82.97 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.0 t -51.17 -47.89 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.122 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -114.32 106.94 14.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.446 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 42.9 p -81.45 -27.89 34.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -80.53 -32.11 36.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.92 -34.81 44.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.118 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.404 HD13 HD21 ' A' ' 29' ' ' LEU . 23.6 tp -62.92 -49.47 74.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.16 -41.89 76.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -56.65 -52.09 66.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.488 ' CE ' HD21 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -63.97 -45.55 88.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.878 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.648 ' NE1' HD23 ' A' ' 11' ' ' LEU . 22.8 t-105 -56.7 -54.91 40.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.482 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -45.38 -41.44 8.77 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -60.04 -30.87 69.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.338 . . . . 0.0 110.883 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -70.17 -35.87 74.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.02 -3.47 57.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.32 30.16 11.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -100.79 142.14 32.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.69 20.3 18.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.439 ' O ' ' NZ ' ' A' ' 64' ' ' LYS . 9.5 mtt85 -137.29 30.79 2.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.482 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 41.7 tpp -81.52 139.74 34.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.459 HG22 ' CD ' ' A' ' 64' ' ' LYS . 4.9 t -166.83 140.02 3.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.446 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 4.1 t80 -35.81 -46.36 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -48.12 -46.36 34.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.459 ' CD ' HG22 ' A' ' 61' ' ' THR . 9.4 mttt -82.95 -45.85 13.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.518 HD12 ' CD1' ' A' ' 51' ' ' TRP . 6.4 tt -48.59 -44.08 36.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.0 p -51.34 -33.94 31.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.442 ' CG ' ' N ' ' A' ' 68' ' ' ALA . 1.0 OUTLIER -42.52 -44.62 4.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.834 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.577 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -72.2 -34.08 68.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.77 ' HA ' HD12 ' A' ' 78' ' ' LEU . 61.1 mt -67.13 -41.18 86.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.541 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 5.6 mmm180 -83.11 -17.58 42.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.455 ' O ' ' CD1' ' A' ' 71' ' ' TYR . 19.2 t80 -88.65 -17.8 29.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.577 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 9.1 m-85 -78.6 -14.97 59.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.947 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.541 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 23.0 m-85 -70.17 -2.63 13.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -98.5 -36.4 9.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.0 p -90.07 -19.54 24.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.132 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 102.7 -15.18 55.96 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.536 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.441 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 3.6 mm -46.14 -43.79 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.871 0.367 . . . . 0.0 111.113 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.77 HD12 ' HA ' ' A' ' 69' ' ' LEU . 8.4 mt -116.69 162.87 16.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.46 124.49 44.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -60.29 134.36 56.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 92.6 t -128.23 147.32 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.17 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -96.34 41.42 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.47 177.46 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.416 ' O ' HG23 ' A' ' 86' ' ' VAL . 22.8 tpt180 -100.49 116.13 31.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.6 mp 59.76 32.62 21.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 84' ' ' ARG . 89.5 t -125.08 106.19 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.452 ' CE2' HD13 ' A' ' 69' ' ' LEU . 13.6 m-85 -109.0 171.44 7.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -151.76 128.08 10.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.559 ' CE2' ' CE1' ' A' ' 39' ' ' PHE . 83.3 m-85 -68.61 133.5 48.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.6 -154.4 6.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.512 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.82 -21.17 22.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.33 . . . . 0.0 110.922 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.03 -34.13 77.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.95 158.22 36.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.83 172.27 12.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 95.26 -53.11 1.83 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.506 ' CH2' ' HA3' ' A' ' 37' ' ' GLY . 34.5 p-90 -72.81 -39.88 66.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.678 0.275 . . . . 0.0 110.911 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.474 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 3.5 mt-30 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.507 HD11 HD11 ' A' ' 65' ' ' LEU . 21.2 tp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.792 0.33 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.538 ' CZ3' ' HB1' ' A' ' 93' ' ' ALA . 20.6 p-90 -40.83 -41.44 1.58 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.509 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.3 OUTLIER -66.91 -43.13 84.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.883 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.456 ' CD1' ' N ' ' A' ' 15' ' ' VAL . 1.6 t80 -60.75 -58.39 8.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.485 ' HA ' HD12 ' A' ' 18' ' ' LEU . 3.1 p -57.19 -26.51 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.09 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.409 ' NH2' ' OD2' ' A' ' 17' ' ' ASP . 7.9 ttp180 -77.3 -53.16 8.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.409 ' OD2' ' NH2' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -49.01 -29.55 5.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 15' ' ' VAL . 9.1 mt -64.68 -45.73 85.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.41 HD22 ' CE2' ' A' ' 31' ' ' TRP . 6.6 mt -59.21 -36.85 76.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mt -84.39 -11.76 55.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 m -118.96 80.58 18.41 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.682 0.753 . . . . 0.0 110.835 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -5.34 15.97 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.702 2.268 . . . . 0.0 112.321 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -85.08 -26.54 26.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.08 -41.3 6.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 26' ' ' CYS . 6.4 t30 -72.79 132.89 44.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.442 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.5 OUTLIER -116.21 86.01 2.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.7 32.6 8.34 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.439 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.6 mt -84.02 -31.97 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.361 . . . . 0.0 111.121 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 mt -134.61 170.9 15.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -141.43 147.45 37.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.41 ' CE2' HD22 ' A' ' 19' ' ' LEU . 9.1 m95 -92.2 92.76 8.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -71.97 -33.31 68.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -160.91 110.79 1.7 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.5 mmm-85 -71.02 -42.41 69.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -60.38 -52.39 65.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -75.8 -34.67 60.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.451 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 95.36 26.65 11.79 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.4 mt -87.05 137.72 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 111.135 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.412 ' CZ ' ' HB2' ' A' ' 87' ' ' TYR . 37.2 p90 -137.92 153.12 49.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.8 ttt85 -114.1 145.08 42.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.9 t -90.13 82.69 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.2 t -54.02 -48.92 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -117.12 94.09 4.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.414 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 51.8 p -68.2 -14.42 62.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -87.64 -46.72 9.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.87 -37.05 81.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 35.9 tp -55.72 -49.59 72.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.39 -50.84 23.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -48.03 -47.29 33.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.1 mmm -66.85 -48.77 67.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.47 ' CD1' HD12 ' A' ' 65' ' ' LEU . 20.9 t-105 -50.43 -55.24 16.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.16 -47.49 33.46 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.478 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -48.65 -36.2 15.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.772 0.32 . . . . 0.0 110.866 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -69.18 -36.42 77.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.91 -2.73 58.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.56 32.84 15.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.869 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.484 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 43.2 t-20 -79.81 -48.37 13.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.932 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 3.4 t0 83.46 -22.42 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.6 mmt85 -108.37 28.99 7.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 50.7 tpp -81.29 139.14 35.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 64' ' ' LYS . 9.9 t -157.14 137.81 13.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.196 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 61' ' ' THR . 4.1 t80 -35.4 -41.87 0.19 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.08 -47.3 68.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 61' ' ' THR . 30.3 mttm -79.7 -43.21 23.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.507 HD11 HD11 ' A' ' 11' ' ' LEU . 6.6 tt -52.93 -49.33 66.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.9 p -44.89 -35.89 3.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.407 ' CG ' ' N ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -44.69 -42.55 7.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.407 ' N ' ' CG ' ' A' ' 67' ' ' ARG . . . -75.96 -35.98 59.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.6 mt -61.51 -41.67 97.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.555 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -81.62 -18.97 42.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.848 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -88.41 -14.48 37.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.435 ' CD1' ' HB ' ' A' ' 77' ' ' ILE . 4.3 m-85 -77.28 -21.97 52.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.555 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 24.4 m-85 -62.34 -20.22 64.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.89 -43.6 24.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.855 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 37.4 p -82.16 -15.75 52.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.131 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 95.84 -13.78 65.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.435 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 8.4 mm -45.21 -45.48 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.852 0.358 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 78' ' ' LEU . 12.7 mt -116.64 161.81 18.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.405 ' O ' HG23 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -116.88 122.39 44.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.45 ' HD2' ' CD2' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -58.78 118.44 5.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 79' ' ' GLU . 42.0 t -110.84 144.22 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.54 37.8 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -115.54 -170.3 1.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.621 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -100.79 117.8 35.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.3 mm? 45.51 42.35 7.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 84' ' ' ARG . 49.6 t -129.32 113.39 27.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.412 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 7.6 m-85 -112.97 168.4 9.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -147.21 132.89 18.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.909 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -71.26 129.94 40.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -75.27 -152.73 3.51 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.447 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.2 -16.39 24.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.797 0.332 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -69.89 -25.79 63.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.538 ' HB1' ' CZ3' ' A' ' 12' ' ' TRP . . . -84.76 135.04 34.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 20.1 p80 -122.74 143.02 50.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 124.79 -39.79 2.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.498 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.469 ' CZ2' ' HG3' ' A' ' 97' ' ' GLN . 42.3 p-90 -82.71 -43.15 17.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.665 0.269 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.469 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 1.2 mt-30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.507 HD23 ' CD2' ' A' ' 51' ' ' TRP . 1.1 tm? . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.78 0.324 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.548 ' HB3' ' CE2' ' A' ' 72' ' ' TYR . 13.9 p-90 -45.45 -38.14 5.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.534 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.5 OUTLIER -73.45 -39.9 64.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.434 ' CD1' ' N ' ' A' ' 15' ' ' VAL . 1.8 t80 -56.67 -57.35 12.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.434 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 2.7 p -60.93 -42.33 92.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.431 ' HE ' ' N ' ' A' ' 17' ' ' ASP . 0.3 OUTLIER -60.33 -43.23 96.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 21' ' ' SER . 14.0 t70 -52.87 -51.15 62.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.414 ' CB ' ' HB2' ' A' ' 25' ' ' ASN . 7.8 mp -44.22 -45.12 8.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.527 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 68.3 mt -60.23 -39.94 88.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.9 mt -91.48 -5.77 53.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.947 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 17' ' ' ASP . 3.6 m -123.29 82.42 52.26 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.678 0.751 . . . . 0.0 110.855 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -9.89 27.21 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.279 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -79.78 -26.95 40.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.842 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.32 -46.11 4.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.414 ' HB2' ' CB ' ' A' ' 18' ' ' LEU . 45.0 t30 -64.29 121.07 13.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -115.59 86.55 2.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.03 36.06 19.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 29.6 mt -93.28 -28.88 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 111.138 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.466 HD23 ' HA ' ' A' ' 41' ' ' VAL . 2.5 mt -135.98 177.08 8.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.454 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 4.2 mt-10 -148.63 148.41 30.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.527 ' CZ2' HD13 ' A' ' 19' ' ' LEU . 10.8 m95 -95.18 95.83 8.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -73.58 -36.83 65.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.27 96.64 0.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -58.86 -44.12 90.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.43 -50.17 68.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -79.55 -23.0 43.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.574 ' HA3' ' CH2' ' A' ' 96' ' ' TRP . . . 85.12 28.33 31.25 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.464 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 36.3 mt -92.26 134.95 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.855 0.359 . . . . 0.0 111.173 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.402 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 33.1 p90 -137.26 150.39 47.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.464 ' HG2' ' N ' ' A' ' 41' ' ' VAL . 35.0 ttt180 -112.17 147.8 35.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.466 ' HA ' HD23 ' A' ' 29' ' ' LEU . 70.3 t -94.45 81.93 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.454 ' CG2' ' HG3' ' A' ' 30' ' ' GLU . 97.9 t -49.07 -49.31 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.5 mttm -116.62 107.78 15.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 83.0 p -77.41 -24.44 50.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -80.96 -46.81 14.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.32 -39.87 92.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 30.0 tp -55.99 -53.72 53.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.491 ' HA ' HD13 ' A' ' 65' ' ' LEU . . . -65.54 -44.16 87.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.068 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -47.0 75.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -37.23 80.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.507 ' CD2' HD23 ' A' ' 11' ' ' LEU . 24.2 t-105 -63.94 -49.26 73.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.483 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -51.13 -45.81 51.38 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -51.63 -33.53 33.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.84 0.352 . . . . 0.0 110.94 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -72.01 -35.82 69.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.61 10.13 41.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 54.49 29.11 10.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -97.56 84.49 3.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.33 -18.34 2.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.8 mmt180 -102.63 31.05 4.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.483 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 38.2 tpp -81.45 132.42 35.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.6 t -150.11 146.04 26.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.135 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -40.25 -42.69 1.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -50.69 -43.05 57.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -83.84 -43.48 15.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.491 HD13 ' HA ' ' A' ' 48' ' ' ALA . 8.6 tt -53.41 -35.59 60.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.2 p -59.39 -36.44 75.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.45 ' CG ' ' N ' ' A' ' 68' ' ' ALA . 1.3 ptt180 -43.1 -45.21 5.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.45 ' N ' ' CG ' ' A' ' 67' ' ' ARG . . . -72.27 -34.23 68.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.73 -37.34 87.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -87.06 -19.08 29.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -84.15 -16.19 44.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.548 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 6.8 m-85 -77.5 -21.89 52.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.944 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.487 ' CE1' ' N ' ' A' ' 80' ' ' ARG . 24.0 m-85 -64.86 -16.91 63.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -80.11 -40.05 28.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.2 p -87.71 -25.42 23.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.17 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.404 ' C ' ' HB2' ' A' ' 92' ' ' ASN . . . 109.9 -18.4 29.02 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.439 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 12.8 mm -39.7 -47.37 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.819 0.342 . . . . 0.0 111.119 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 78' ' ' LEU . 10.3 mt -112.07 169.43 8.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -130.72 113.39 14.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.487 ' N ' ' CE1' ' A' ' 73' ' ' TYR . 13.9 ttt180 -50.43 128.67 20.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 82' ' ' ASP . 59.9 t -115.67 152.49 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.406 ' N ' HG12 ' A' ' 81' ' ' VAL . 0.5 OUTLIER -92.72 34.24 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.403 ' HD3' ' CG1' ' A' ' 81' ' ' VAL . 1.1 mpt_? -129.17 167.59 17.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.416 ' O ' HG23 ' A' ' 86' ' ' VAL . 73.6 ttt180 -92.53 136.22 33.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.8 mp 48.7 27.63 1.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 84' ' ' ARG . 29.9 t -124.26 104.83 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -109.86 169.31 8.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -149.71 138.8 21.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.402 ' CE2' ' CE1' ' A' ' 39' ' ' PHE . 96.5 m-85 -78.4 133.11 37.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -81.69 -148.79 6.72 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.478 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.78 -24.92 18.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.79 0.329 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.404 ' HB2' ' C ' ' A' ' 76' ' ' GLY . 1.3 m120 -61.52 -29.14 69.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -82.97 160.15 22.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.082 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 24.2 p80 -147.75 170.31 17.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 101.08 -44.55 1.54 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.574 ' CH2' ' HA3' ' A' ' 37' ' ' GLY . 48.3 p-90 -80.88 -41.5 23.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.722 0.296 . . . . 0.0 110.932 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.426 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.8 tp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.824 0.345 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.569 ' CZ2' ' HG3' ' A' ' 13' ' ' GLU . 15.1 p-90 -40.51 -39.34 1.0 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.569 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.4 OUTLIER -72.83 -41.77 64.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.422 ' CD2' ' N ' ' A' ' 15' ' ' VAL . 2.1 t80 -57.78 -58.86 6.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.422 ' N ' ' CD2' ' A' ' 14' ' ' PHE . 4.8 p -57.77 -42.31 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.559 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 4.3 ttp180 -63.45 -40.26 96.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -59.43 -34.22 72.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.495 HD21 ' CE ' ' A' ' 50' ' ' MET . 11.2 mt -60.97 -42.05 97.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.458 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . 9.0 mt -61.77 -40.59 95.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -81.27 -10.73 59.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.7 m -120.55 80.64 30.99 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.611 0.72 . . . . 0.0 110.834 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -6.78 19.4 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.252 . . . . 0.0 112.33 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -82.79 -28.32 30.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.92 -39.58 8.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.494 ' HB2' HD22 ' A' ' 18' ' ' LEU . 7.4 t30 -74.7 132.28 41.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.422 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.5 OUTLIER -116.48 85.02 2.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 48.9 36.11 19.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.485 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.4 mt -87.78 -31.12 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.854 0.359 . . . . 0.0 111.145 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.669 HD23 ' HA ' ' A' ' 41' ' ' VAL . 4.4 mt -139.29 171.26 14.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.455 ' CG ' ' HB3' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -145.39 149.54 34.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.458 ' NE1' ' HB3' ' A' ' 19' ' ' LEU . 31.6 m95 -89.2 97.33 11.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.976 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -73.3 -28.34 62.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.71 105.06 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -39.28 85.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.416 ' N ' ' OE1' ' A' ' 35' ' ' GLU . 1.4 mp0 -59.82 -54.3 47.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -76.5 -30.37 57.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.505 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 93.14 28.32 12.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.464 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.8 mt -91.58 142.71 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.359 . . . . 0.0 111.138 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.754 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 53.0 p90 -146.96 154.06 40.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.455 ' HB3' ' CG ' ' A' ' 30' ' ' GLU . 45.9 ttt180 -117.17 149.31 40.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.669 ' HA ' HD23 ' A' ' 29' ' ' LEU . 60.8 t -95.7 87.21 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.4 t -54.05 -44.78 63.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -118.44 93.56 4.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.1 p -68.55 -25.11 64.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -79.11 -38.63 35.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.28 -36.39 61.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 23.0 tp -56.54 -51.0 70.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.34 -49.91 51.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -47.88 -46.58 31.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.495 ' CE ' HD21 ' A' ' 18' ' ' LEU . 2.5 mmm -67.86 -45.67 73.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.61 ' CD1' HD12 ' A' ' 65' ' ' LEU . 20.6 t-105 -52.38 -56.0 17.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.63 -39.86 39.06 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.533 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -54.5 -35.58 63.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.32 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -70.8 -35.18 72.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.828 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -94.62 4.87 53.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.8 mttt 44.4 49.22 8.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.484 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 45.1 t-20 -93.65 -46.95 7.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER 83.59 -34.06 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.1 mpp_? -96.94 22.7 8.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 54.6 tpp -75.83 144.92 41.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 64' ' ' LYS . 9.9 t -165.86 141.41 4.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.162 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 61' ' ' THR . 2.4 t80 -37.41 -42.49 0.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -51.67 -46.46 63.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 61' ' ' THR . 22.3 mttm -82.16 -44.07 16.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.61 HD12 ' CD1' ' A' ' 51' ' ' TRP . 2.6 tt -51.45 -47.6 63.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.4 p -43.71 -37.01 2.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.6 ptt-85 -42.86 -41.11 3.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.31 -34.85 55.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.143 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.6 mt -62.87 -33.45 75.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.477 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -89.7 -24.08 21.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -80.78 -13.89 58.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.438 ' CD1' ' HB ' ' A' ' 77' ' ' ILE . 5.9 m-85 -76.58 -27.36 55.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.477 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 24.1 m-85 -61.07 -18.53 58.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -78.66 -32.11 47.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.448 ' O ' ' CG ' ' A' ' 92' ' ' ASN . 43.0 p -101.2 -6.93 23.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.35 -17.86 51.9 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.516 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.438 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 5.5 mm -38.45 -45.49 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.835 0.35 . . . . 0.0 111.161 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.9 mt -114.35 162.59 16.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 81' ' ' VAL . 0.4 OUTLIER -117.02 117.68 30.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -47.19 126.41 9.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.567 HG11 ' O ' ' A' ' 86' ' ' VAL . 22.0 t -118.91 141.2 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -103.0 32.72 3.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.502 ' H ' HG12 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -118.68 -172.75 2.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.44 ' O ' HG23 ' A' ' 86' ' ' VAL . 13.6 tpt180 -102.21 118.84 37.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.0 mp 54.08 28.1 8.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.567 ' O ' HG11 ' A' ' 81' ' ' VAL . 55.6 t -115.8 107.6 23.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.538 ' HA ' HG21 ' A' ' 81' ' ' VAL . 45.1 m-85 -113.35 169.44 8.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.3 tttm -151.79 135.14 16.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.754 ' CE2' ' CE1' ' A' ' 39' ' ' PHE . 97.6 m-85 -75.66 130.76 39.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -76.73 -153.33 5.1 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -88.15 -27.02 22.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.793 0.33 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 75' ' ' THR . 1.1 m-80 -61.19 -32.16 71.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.65 174.78 5.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -163.73 167.18 21.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 102.41 -41.96 2.01 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.503 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.505 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 57.7 p-90 -82.93 -39.66 21.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.737 0.303 . . . . 0.0 110.911 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 14' ' ' PHE . 12.1 tp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.783 0.325 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.541 ' CE2' ' HG3' ' A' ' 13' ' ' GLU . 33.0 p-90 -42.79 -29.83 0.34 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.541 ' HG3' ' CE2' ' A' ' 12' ' ' TRP . 2.2 mt-10 -83.21 -35.34 25.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.575 ' CE1' ' HB2' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -66.32 -48.27 70.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p -71.73 -36.44 59.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -62.65 -42.71 99.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 21' ' ' SER . 23.8 t70 -54.11 -54.07 44.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.464 ' CD2' HD12 ' A' ' 28' ' ' ILE . 7.8 mp -43.23 -43.65 4.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.443 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . 86.4 mt -61.86 -35.73 79.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.4 mt -97.48 -2.78 41.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.962 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 17' ' ' ASP . 2.6 m -122.57 81.44 47.49 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.669 0.747 . . . . 0.0 110.827 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -3.52 12.2 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.703 2.269 . . . . 0.0 112.314 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -88.32 -27.49 21.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.1 -44.77 5.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -65.36 124.32 21.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.04 86.3 2.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.47 28.57 4.9 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.464 HD12 ' CD2' ' A' ' 18' ' ' LEU . 7.6 mt -84.25 -28.8 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.89 0.376 . . . . 0.0 111.126 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.0 mt -139.08 172.49 12.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.965 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.06 147.56 30.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.443 ' NE1' ' HB3' ' A' ' 19' ' ' LEU . 7.2 m95 -90.87 101.43 14.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -74.29 -38.07 63.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.33 104.54 1.85 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 48.5 mmm-85 -62.59 -24.43 67.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.67 -51.61 10.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.411 ' HB2' HD12 ' A' ' 38' ' ' ILE . 5.4 mt-30 -79.27 -14.87 58.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.18 22.11 76.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.472 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.411 HD12 ' HB2' ' A' ' 36' ' ' GLN . 15.0 mt -84.39 131.65 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 111.102 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.551 ' CZ ' ' HB2' ' A' ' 87' ' ' TYR . 32.5 p90 -130.38 155.93 45.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.402 ' HG2' ' N ' ' A' ' 41' ' ' VAL . 24.4 ttt180 -116.56 154.94 29.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.41 ' CG1' ' HA ' ' A' ' 44' ' ' SER . 94.3 t -102.06 83.73 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.1 t -52.95 -49.17 50.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.106 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -115.35 87.39 2.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.41 ' HA ' ' CG1' ' A' ' 41' ' ' VAL . 44.5 p -63.14 -11.01 17.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -92.21 -47.81 7.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.54 -24.6 62.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.2 tp -65.1 -44.63 88.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.926 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.94 -45.68 26.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.44 -44.33 62.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -68.98 -47.87 64.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.575 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 17.7 t-105 -53.31 -55.2 26.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.453 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -48.54 -42.08 26.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -54.86 -31.62 59.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.768 0.318 . . . . 0.0 110.927 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.5 mmm-85 -78.31 -34.59 48.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.524 ' HG3' ' CZ2' ' A' ' 51' ' ' TRP . 0.5 OUTLIER -95.77 5.96 50.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.63 31.09 19.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.425 ' C ' ' OD1' ' A' ' 57' ' ' ASN . 30.5 t-20 -100.37 82.6 2.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -51.55 -22.15 3.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -99.49 27.99 4.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.453 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 32.8 tpp -78.68 131.59 36.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.4 t -151.28 145.43 25.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -42.46 -35.53 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -57.97 -41.06 82.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -86.57 -40.26 15.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.546 HD12 ' CD1' ' A' ' 51' ' ' TRP . 3.0 tt -57.17 -43.2 82.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 52.5 p -53.73 -29.05 37.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -50.07 -41.61 48.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.87 -36.41 67.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.698 HD13 ' CE2' ' A' ' 87' ' ' TYR . 84.7 mt -60.9 -42.17 97.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.6 mmm-85 -76.99 -20.26 56.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -87.99 -14.55 38.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.457 ' CD1' ' HB ' ' A' ' 77' ' ' ILE . 4.7 m-85 -78.18 -16.0 58.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.518 ' CD2' ' HD2' ' A' ' 80' ' ' ARG . 24.1 m-85 -71.86 -13.33 61.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.929 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -85.27 -35.98 21.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.6 p -91.23 -18.33 24.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.169 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.81 -2.84 60.42 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.457 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 4.6 mm -55.42 -44.17 74.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.865 0.364 . . . . 0.0 111.128 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 69' ' ' LEU . 9.6 mt -114.73 165.21 13.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.412 ' O ' HG23 ' A' ' 81' ' ' VAL . 11.5 mt-10 -124.43 111.89 16.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.518 ' HD2' ' CD2' ' A' ' 73' ' ' TYR . 1.3 ttt180 -48.0 133.35 14.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 79' ' ' GLU . 38.9 t -124.74 141.31 45.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.18 43.32 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.404 ' CG ' HH11 ' A' ' 83' ' ' ARG . 0.3 OUTLIER -135.06 173.47 11.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.494 ' O ' HG23 ' A' ' 86' ' ' VAL . 61.8 ttt180 -103.16 131.29 50.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.405 HD13 ' HG2' ' A' ' 84' ' ' ARG . 4.8 mp 56.44 34.07 23.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 84' ' ' ARG . 85.3 t -136.46 114.96 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.698 ' CE2' HD13 ' A' ' 69' ' ' LEU . 8.4 m-85 -118.82 173.81 6.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.406 ' HE2' ' O ' ' A' ' 36' ' ' GLN . 22.6 tttt -151.84 132.62 14.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -74.88 124.79 27.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.25 -147.57 0.24 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.507 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.5 -25.5 18.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -61.54 -35.07 76.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.34 153.06 44.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -138.33 167.74 21.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.68 -42.16 2.8 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.524 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.535 ' CZ2' ' HG3' ' A' ' 97' ' ' GLN . 35.9 p-90 -75.03 -38.38 61.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.707 0.289 . . . . 0.0 110.956 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.535 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 4.8 mt-30 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.603 HD21 HD21 ' A' ' 69' ' ' LEU . 6.9 tp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.808 0.337 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.512 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 22.8 p-90 -40.62 -39.68 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.512 ' HG2' ' CH2' ' A' ' 12' ' ' TRP . 0.4 OUTLIER -70.37 -40.66 73.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.7 t80 -63.82 -54.81 29.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.9 p -62.49 -37.17 78.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.49 ' HE ' ' N ' ' A' ' 17' ' ' ASP . 1.0 OUTLIER -64.26 -41.43 96.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.49 ' N ' ' HE ' ' A' ' 16' ' ' ARG . 8.3 t0 -54.93 -51.13 67.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.423 ' HB3' HD12 ' A' ' 29' ' ' LEU . 7.3 mp -45.58 -44.46 12.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.479 HD13 ' CH2' ' A' ' 31' ' ' TRP . 24.9 mt -58.53 -38.48 77.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mt -93.24 -9.77 37.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 17' ' ' ASP . 2.1 m -114.08 81.24 6.09 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.643 0.735 . . . . 0.0 110.825 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -5.43 16.21 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.655 2.237 . . . . 0.0 112.317 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -87.06 -24.6 24.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.39 -45.93 4.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -62.22 120.73 11.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.2 87.34 2.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 48.59 36.36 18.01 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.449 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.0 mt -98.45 -26.66 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 111.115 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.423 HD12 ' HB3' ' A' ' 18' ' ' LEU . 7.2 mt -142.01 168.36 19.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.466 ' CG ' ' HB3' ' A' ' 40' ' ' ARG . 0.6 OUTLIER -146.77 153.97 40.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.479 ' CH2' HD13 ' A' ' 19' ' ' LEU . 8.9 m95 -95.6 114.75 26.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -94.84 -17.16 22.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -172.72 105.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.438 ' HD3' ' CG ' ' A' ' 31' ' ' TRP . 1.2 mmt85 -70.41 -34.01 72.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -63.06 -57.17 11.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.37 -31.13 48.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.0 25.41 14.6 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.486 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.2 mt -80.48 134.68 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.907 0.384 . . . . 0.0 111.135 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.455 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 33.7 p90 -136.58 155.86 49.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.466 ' HB3' ' CG ' ' A' ' 30' ' ' GLU . 27.7 ttt180 -121.46 145.2 48.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.446 ' N ' ' HG2' ' A' ' 40' ' ' ARG . 52.4 t -92.33 90.22 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.0 t -59.57 -48.92 85.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.472 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 43.9 mttm -111.02 90.33 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.479 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 90.6 p -64.57 -33.11 75.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -76.83 -38.14 54.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.472 ' HB3' ' HB3' ' A' ' 43' ' ' LYS . . . -73.36 -37.21 66.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 24.3 tp -56.76 -50.46 72.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.32 -52.23 49.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -45.48 -48.23 13.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.7 mmm -67.21 -44.54 79.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.666 ' CD1' HD12 ' A' ' 65' ' ' LEU . 23.1 t-105 -54.86 -54.48 41.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.36 -42.22 33.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.42 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -52.04 -34.58 43.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.777 0.323 . . . . 0.0 110.916 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.0 -33.8 63.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.24 10.49 39.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.8 mttt 43.69 29.48 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.503 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 52.0 t30 -69.9 -49.85 48.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 5.3 t0 83.73 -33.42 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -106.73 28.8 7.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 47.6 tpp -77.95 137.58 38.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 62' ' ' TYR . 1.4 t -154.39 140.9 18.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.173 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.479 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 6.5 t80 -37.19 -41.98 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.907 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -50.86 -46.24 60.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -83.59 -43.11 16.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.666 HD12 ' CD1' ' A' ' 51' ' ' TRP . 2.7 tt -51.39 -48.73 62.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.967 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.0 m -45.3 -36.58 4.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.446 ' CG ' ' N ' ' A' ' 68' ' ' ALA . 2.1 ptm180 -41.89 -44.8 3.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.832 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.446 ' N ' ' CG ' ' A' ' 67' ' ' ARG . . . -73.5 -34.63 65.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.603 HD21 HD21 ' A' ' 11' ' ' LEU . 51.9 mt -63.18 -38.53 91.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.932 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.577 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 4.2 mmt-85 -84.09 -13.85 51.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -92.22 -16.8 25.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.459 ' HD2' HD12 ' A' ' 78' ' ' LEU . 9.5 m-85 -75.73 -15.91 60.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.919 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.577 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 20.6 m-85 -70.77 -17.22 62.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.942 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -86.93 -29.64 21.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 37.9 p -96.37 -8.13 33.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.42 -17.22 49.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.497 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.0 mm -43.51 -46.94 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.935 0.397 . . . . 0.0 111.155 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.459 HD12 ' HD2' ' A' ' 72' ' ' TYR . 12.5 mt -113.81 169.36 9.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.15 124.65 43.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.505 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -62.41 128.43 35.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.8 t -124.71 140.67 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -85.88 25.86 1.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.448 ' HD3' HG11 ' A' ' 86' ' ' VAL . 2.3 mtp85 -109.85 174.21 5.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -102.33 129.61 48.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.1 mp 54.0 32.44 15.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.963 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.448 HG11 ' HD3' ' A' ' 83' ' ' ARG . 51.5 t -130.88 121.17 49.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.1 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.425 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 6.4 m-85 -125.0 170.62 10.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.5 tttm -148.94 138.54 21.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 99.3 m-85 -79.03 127.92 32.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -74.35 -146.74 1.17 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.542 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.06 -19.16 20.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.777 0.322 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -67.67 -32.15 72.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.57 164.82 26.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -156.76 146.01 20.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 124.29 -40.24 1.97 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.52 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.541 ' CD2' ' N ' ' A' ' 97' ' ' GLN . 62.5 p-90 -81.28 -52.95 6.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.742 0.306 . . . . 0.0 110.944 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.541 ' N ' ' CD2' ' A' ' 96' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.513 HD23 ' CD2' ' A' ' 51' ' ' TRP . 1.8 tm? . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 72' ' ' TYR . 14.6 p-90 -45.22 -35.94 3.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.509 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.9 OUTLIER -75.4 -36.42 60.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.893 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.499 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 2.9 t80 -63.97 -55.7 20.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.437 ' HA ' HD12 ' A' ' 18' ' ' LEU . 5.4 p -58.9 -38.56 73.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.556 ' HE ' ' N ' ' A' ' 17' ' ' ASP . 2.6 ttp180 -68.59 -54.65 15.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.556 ' N ' ' HE ' ' A' ' 16' ' ' ARG . 14.2 t70 -47.44 -38.48 13.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.499 HD11 ' CZ ' ' A' ' 14' ' ' PHE . 9.9 mt -55.9 -39.41 71.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.483 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 8.3 mt -64.92 -41.59 95.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.2 mt -80.37 -15.71 56.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.0 m -114.98 81.61 7.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 110.824 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -9.78 26.95 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.648 2.232 . . . . 0.0 112.377 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -79.5 -29.38 41.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.02 -38.28 8.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.421 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . 17.6 t30 -77.49 128.3 33.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.32 87.09 2.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.59 43.88 37.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.511 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.6 mt -96.18 -31.38 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 111.122 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 41' ' ' VAL . 4.2 mt -135.18 170.5 15.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.469 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 0.7 OUTLIER -137.96 142.52 40.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.483 ' CE2' ' HB3' ' A' ' 19' ' ' LEU . 8.7 m95 -90.84 92.86 8.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -74.77 -31.19 61.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -162.4 105.53 1.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -41.43 77.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.64 -50.66 71.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -75.67 -35.13 60.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.947 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.445 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 96.73 28.57 8.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.494 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 45.5 mt -91.0 135.28 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.905 0.383 . . . . 0.0 111.133 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -138.09 150.31 46.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -111.45 144.98 39.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.838 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.421 ' HA ' HD23 ' A' ' 29' ' ' LEU . 97.8 t -89.51 81.18 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.469 ' CG2' ' HG3' ' A' ' 30' ' ' GLU . 99.7 t -50.93 -53.91 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.415 ' CB ' ' HB3' ' A' ' 46' ' ' ALA . 31.8 mttm -114.35 92.66 4.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.6 p -64.97 -29.89 70.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -79.09 -39.13 34.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.415 ' HB3' ' CB ' ' A' ' 43' ' ' LYS . . . -70.25 -37.04 74.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.088 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 27.6 tp -60.57 -46.91 88.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.3 -48.33 61.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -50.7 -47.05 59.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.467 ' CE ' HD21 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -69.1 -43.24 74.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.846 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.513 ' CD2' HD23 ' A' ' 11' ' ' LEU . 26.7 t-105 -57.12 -49.22 76.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.48 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -50.04 -49.02 37.62 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -49.85 -35.69 24.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.329 . . . . 0.0 110.909 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -69.91 -34.76 73.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.79 14.41 32.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 52.0 31.86 9.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.443 ' OD1' ' C ' ' A' ' 59' ' ' ARG . 32.1 t-20 -96.9 81.68 3.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -51.09 -22.71 2.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.443 ' C ' ' OD1' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -105.11 40.04 1.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.902 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.48 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 42.0 tpp -87.64 131.39 34.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.3 t -151.54 150.72 30.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.149 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -42.29 -38.31 1.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -54.29 -41.18 68.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -87.67 -41.48 13.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.432 HD12 ' CD1' ' A' ' 51' ' ' TRP . 5.9 tt -54.82 -41.62 70.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.4 p -54.82 -31.44 59.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.14 -38.43 5.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.496 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -79.29 -33.97 42.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.066 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.21 -43.26 99.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.435 ' HA ' ' CD2' ' A' ' 73' ' ' TYR . 2.0 mmt180 -79.79 -24.13 41.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.561 ' O ' ' CD1' ' A' ' 71' ' ' TYR . 26.2 t80 -84.19 -7.82 59.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 12' ' ' TRP . 6.9 m-85 -85.44 -17.36 36.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.573 ' CE1' ' HB3' ' A' ' 78' ' ' LEU . 39.8 m-85 -77.48 -11.17 59.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -77.01 -44.0 32.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.924 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.2 p -88.73 -30.31 19.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.425 ' C ' ' HB2' ' A' ' 92' ' ' ASN . . . 118.88 -3.54 14.61 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.64 HD13 ' HB3' ' A' ' 92' ' ' ASN . 21.5 mm -49.71 -48.73 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 111.122 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.573 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 11.8 mt -111.82 164.21 13.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.469 ' O ' HG23 ' A' ' 81' ' ' VAL . 8.8 mt-10 -120.27 111.61 18.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.402 ' N ' ' CE1' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -45.07 113.33 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 79' ' ' GLU . 45.2 t -103.08 145.04 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -102.89 38.49 1.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.53 -176.9 3.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.808 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -95.66 118.48 32.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.885 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.6 mm? 45.9 41.01 7.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 84' ' ' ARG . 97.4 t -131.04 110.82 18.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -108.27 172.12 7.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -151.93 137.41 17.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 93.9 m-85 -77.68 132.86 38.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.844 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.37 -146.71 3.78 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.445 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.7 pttt -95.43 -25.23 16.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.798 0.332 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.64 ' HB3' HD13 ' A' ' 77' ' ' ILE . 0.9 OUTLIER -59.19 -37.02 76.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.457 ' HB1' ' CZ3' ' A' ' 12' ' ' TRP . . . -71.78 177.5 4.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -162.54 177.68 9.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.96 -42.65 2.86 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.493 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.445 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 43.7 p-90 -83.15 -42.1 17.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.731 0.301 . . . . 0.0 110.925 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.434 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.557 ' C ' HD23 ' A' ' 11' ' ' LEU . 7.1 tt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.79 0.329 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.591 ' CZ2' ' HG3' ' A' ' 13' ' ' GLU . 28.5 p-90 -40.02 -32.3 0.16 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.591 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -82.39 -37.55 25.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.476 ' CD2' ' N ' ' A' ' 15' ' ' VAL . 2.3 t80 -57.05 -60.87 2.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.476 ' N ' ' CD2' ' A' ' 14' ' ' PHE . 3.0 p -60.92 -39.7 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.428 ' HE ' ' N ' ' A' ' 17' ' ' ASP . 0.5 OUTLIER -58.23 -41.66 84.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 21' ' ' SER . 7.1 t70 -53.39 -51.69 61.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.488 ' HB3' HD12 ' A' ' 29' ' ' LEU . 7.6 mp -44.82 -42.33 7.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.476 HD13 ' CH2' ' A' ' 31' ' ' TRP . 53.4 mt -61.81 -39.47 91.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 mt -92.06 -6.55 50.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 17' ' ' ASP . 2.3 m -121.56 82.37 40.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.657 0.741 . . . . 0.0 110.851 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -9.35 25.92 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.711 2.274 . . . . 0.0 112.337 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -81.53 -26.51 35.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.89 -44.98 5.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -66.24 124.19 22.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.825 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.3 t -115.24 86.59 2.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.82 30.16 14.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.7 mt -87.48 -30.32 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 111.123 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.488 HD12 ' HB3' ' A' ' 18' ' ' LEU . 1.1 mt -137.47 172.57 12.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -145.96 145.41 30.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.478 ' CD2' ' HD2' ' A' ' 34' ' ' ARG . 8.0 m95 -89.8 100.97 13.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -81.76 -24.42 36.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -166.31 104.86 0.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.478 ' HD2' ' CD2' ' A' ' 31' ' ' TRP . 55.2 mmm-85 -69.14 -33.01 72.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -69.4 -50.83 42.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -78.3 -29.02 47.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.57 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 91.94 22.19 31.2 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.503 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 22.6 mt -83.38 137.42 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 111.102 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.671 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 37.9 p90 -139.98 152.65 46.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.3 ttt85 -112.28 148.62 33.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 85.4 t -97.25 79.23 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.2 t -48.93 -47.27 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -116.46 93.65 4.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.473 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 93.4 p -66.91 -27.51 67.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -79.15 -40.16 31.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.12 -36.87 77.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.7 tp -61.72 -41.66 97.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.51 -47.13 50.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -53.89 -49.58 68.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.1 -54.55 39.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.537 ' NE1' HD12 ' A' ' 11' ' ' LEU . 23.1 t-105 -48.8 -54.46 15.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.477 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -47.08 -44.86 19.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.467 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -54.15 -33.8 58.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.811 0.338 . . . . 0.0 110.899 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -70.79 -36.16 72.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.99 10.97 37.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 57.13 23.63 8.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -94.27 92.81 7.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -62.44 -19.22 63.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -101.13 33.57 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.477 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 50.5 tpp -83.78 131.98 34.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.0 t -150.19 146.42 26.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.473 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 3.4 t80 -39.67 -45.63 1.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -51.16 -41.27 60.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -82.97 -46.51 12.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.519 HD12 ' CD1' ' A' ' 51' ' ' TRP . 4.3 tt -50.94 -46.46 60.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 94.4 p -44.64 -33.62 1.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.815 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 68' ' ' ALA . 2.9 ptt-85 -46.58 -43.15 16.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.431 ' HB3' HD13 ' A' ' 11' ' ' LEU . . . -74.67 -34.61 62.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.405 ' HA ' HD12 ' A' ' 78' ' ' LEU . 59.2 mt -63.77 -43.01 97.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.582 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -74.8 -19.88 60.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -87.46 -15.35 37.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.483 ' HB2' HD12 ' A' ' 78' ' ' LEU . 8.6 m-85 -79.41 -10.48 59.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.582 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 23.2 m-85 -72.57 -55.24 7.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.01 -43.15 73.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.0 p -74.2 -20.73 60.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 95.47 -11.51 68.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.517 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.472 HD13 ' HB3' ' A' ' 92' ' ' ASN . 14.9 mm -50.72 -42.69 23.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.883 0.373 . . . . 0.0 111.105 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.483 HD12 ' HB2' ' A' ' 72' ' ' TYR . 11.3 mt -115.15 166.47 11.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.45 122.59 38.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -50.3 130.92 23.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.596 HG11 HG12 ' A' ' 86' ' ' VAL . 32.9 t -121.91 141.38 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -102.21 33.23 3.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.513 ' H ' HG12 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -119.43 177.75 4.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.464 ' O ' HG23 ' A' ' 86' ' ' VAL . 3.0 tpt180 -93.44 123.91 37.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.7 mp 48.47 36.56 7.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.596 HG12 HG11 ' A' ' 81' ' ' VAL . 33.8 t -127.46 115.06 38.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.171 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.524 ' HA ' HG21 ' A' ' 81' ' ' VAL . 4.1 m-85 -116.06 170.86 8.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -148.9 130.19 14.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.671 ' CE2' ' CE1' ' A' ' 39' ' ' PHE . 98.6 m-85 -73.29 130.21 39.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -74.64 -158.88 6.49 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.69 -32.28 25.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.776 0.322 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.472 ' HB3' HD13 ' A' ' 77' ' ' ILE . 3.1 m-80 -57.51 -35.05 69.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.41 104.88 7.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.064 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -104.27 120.9 42.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 159.03 -37.23 0.5 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.57 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 62.9 p-90 -86.16 -52.81 5.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.729 0.3 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.42 ' N ' ' CG ' ' A' ' 96' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.511 HD23 ' HB3' ' A' ' 68' ' ' ALA . 34.4 tp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.81 0.338 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.574 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 17.1 p-90 -40.11 -38.31 0.73 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.574 ' HG2' ' CH2' ' A' ' 12' ' ' TRP . 0.5 OUTLIER -72.44 -41.32 66.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.4 t80 -63.63 -50.96 67.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.418 ' HA ' HD12 ' A' ' 18' ' ' LEU . 7.7 p -63.15 -30.38 49.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 1.6 ttp180 -75.81 -47.43 25.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.05 -29.47 30.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.461 ' CD2' ' HB2' ' A' ' 25' ' ' ASN . 8.1 mt -66.0 -44.41 84.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.472 HD22 ' CE2' ' A' ' 31' ' ' TRP . 7.1 mt -59.0 -35.1 72.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.3 mt -86.82 -13.0 46.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.5 m -116.77 80.81 11.18 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.656 0.741 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -5.95 17.43 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.321 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -85.22 -25.3 27.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.12 -39.46 7.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.461 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . 11.1 t30 -77.16 130.99 38.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.85 86.57 2.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 48.26 37.64 18.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.1 mt -91.6 -23.85 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.87 0.367 . . . . 0.0 111.122 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.614 HD23 ' HA ' ' A' ' 41' ' ' VAL . 9.2 mt -141.81 167.23 22.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -139.65 149.63 43.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.472 ' CE2' HD22 ' A' ' 19' ' ' LEU . 9.9 m95 -96.13 98.02 10.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -79.57 -25.48 41.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -167.84 102.5 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.8 tpt85 -68.01 -39.2 83.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.2 -49.62 76.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -79.09 -32.0 44.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.08 27.25 11.16 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.459 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 29.2 mt -88.72 140.22 16.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.906 0.384 . . . . 0.0 111.112 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 87' ' ' TYR . 22.8 p90 -142.42 153.15 43.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -115.67 144.49 43.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.614 ' HA ' HD23 ' A' ' 29' ' ' LEU . 58.7 t -91.53 84.17 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.9 t -55.04 -52.37 44.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -111.2 90.79 3.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.575 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 89.1 p -65.03 -29.54 70.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -73.03 -50.08 25.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.59 -37.76 88.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 32.1 tp -55.67 -53.1 60.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.527 ' HA ' HD13 ' A' ' 65' ' ' LEU . . . -66.05 -50.44 64.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.65 -48.44 49.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.9 mmm -66.37 -46.05 78.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 23.6 t-105 -54.21 -51.76 63.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.25 -46.57 34.89 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.476 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -50.63 -30.87 14.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.79 0.329 . . . . 0.0 110.901 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -74.53 -37.39 63.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -93.97 3.35 55.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.42 47.36 14.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.502 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 47.3 t-20 -91.52 -43.93 9.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 6.4 t0 83.71 -33.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.3 mtt-85 -104.91 33.93 3.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 48.6 tpp -84.16 132.81 34.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 62' ' ' TYR . 6.8 t -150.84 143.4 24.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.575 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 6.4 t80 -34.77 -42.46 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.47 -49.78 54.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 61' ' ' THR . 8.9 mttt -79.78 -42.78 23.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.527 HD13 ' HA ' ' A' ' 48' ' ' ALA . 6.8 tt -52.12 -40.83 61.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 54.7 p -54.22 -30.37 49.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.844 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -48.03 -39.62 20.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.591 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -75.65 -35.66 60.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.56 ' HB3' ' CE2' ' A' ' 87' ' ' TYR . 44.3 mt -63.68 -41.08 98.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.579 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -84.65 -20.85 30.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.524 ' CE1' ' HD2' ' A' ' 74' ' ' LYS . 15.7 t80 -83.94 -12.99 54.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.591 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 10.9 m-85 -83.27 -20.1 35.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.579 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 21.3 m-85 -63.45 -40.9 98.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.524 ' HD2' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -62.53 -36.47 82.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.0 p -87.88 -17.54 31.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.158 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.64 -20.35 48.97 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.517 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.0 mm -38.41 -45.48 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 111.102 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.462 ' HB2' ' CB ' ' A' ' 72' ' ' TYR . 0.8 OUTLIER -109.18 -177.4 3.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 88' ' ' LYS . 0.4 OUTLIER -125.05 128.03 47.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -70.0 101.52 1.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 51.3 t -106.72 137.28 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -94.49 44.25 1.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -117.77 -174.36 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.635 ' O ' HG23 ' A' ' 86' ' ' VAL . 3.7 tpt180 -97.2 119.55 35.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.7 mp 44.0 41.91 4.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 84' ' ' ARG . 41.6 t -126.77 108.82 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 69' ' ' LEU . 10.5 m-85 -113.51 168.52 9.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 79' ' ' GLU . 6.7 tttm -151.89 137.52 17.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 89.5 m-85 -74.69 123.84 25.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.49 -147.45 0.26 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.22 -22.17 18.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.782 0.325 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -67.28 -30.59 70.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.73 130.07 40.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 27.2 p80 -128.55 125.18 37.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 145.5 -43.13 0.94 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.573 ' CD2' ' N ' ' A' ' 97' ' ' GLN . 65.7 p-90 -80.69 -54.05 5.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.699 0.285 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.573 ' N ' ' CD2' ' A' ' 96' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.557 HD23 ' CE2' ' A' ' 51' ' ' TRP . 1.8 tm? . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.768 0.318 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.465 ' CZ3' ' HB1' ' A' ' 93' ' ' ALA . 30.4 p-90 -49.86 -39.6 39.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.07 -34.96 75.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.529 ' CE1' ' HB2' ' A' ' 51' ' ' TRP . 2.2 t80 -66.65 -51.81 51.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.45 ' HB ' HD11 ' A' ' 47' ' ' LEU . 2.4 p -64.37 -37.13 79.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 8.3 ttp180 -71.07 -47.48 58.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -50.99 -40.04 57.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.44 ' CD2' ' HB2' ' A' ' 25' ' ' ASN . 14.6 mt -51.42 -41.45 60.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.523 HD22 ' CE2' ' A' ' 31' ' ' TRP . 3.8 mt -64.98 -41.35 95.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.3 mt -79.78 -19.14 49.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.3 m -113.61 80.59 4.96 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.59 0.709 . . . . 0.0 110.853 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -13.49 34.83 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.726 2.284 . . . . 0.0 112.355 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -74.47 -28.4 61.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.88 -44.36 5.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.44 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . 24.1 t30 -69.03 127.28 32.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.23 85.16 2.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 52.94 38.16 54.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.421 HD12 HD22 ' A' ' 18' ' ' LEU . 53.4 mt -89.81 -35.61 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.902 0.382 . . . . 0.0 111.143 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.438 HD21 HG23 ' A' ' 15' ' ' VAL . 2.2 mt -132.58 172.6 12.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.46 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 1.0 OUTLIER -145.31 143.63 30.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.901 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.523 ' CE2' HD22 ' A' ' 19' ' ' LEU . 11.2 m95 -88.63 96.35 10.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.941 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -77.2 -26.22 52.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -166.25 106.28 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.52 ' HD3' ' CG ' ' A' ' 31' ' ' TRP . 5.0 mmm180 -68.11 -42.77 79.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -60.39 -51.97 67.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -75.57 -32.46 60.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.413 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 92.8 26.54 16.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.0 mt -87.68 135.77 24.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.827 0.346 . . . . 0.0 111.174 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.491 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 34.8 p90 -137.09 148.9 47.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -110.14 142.55 41.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.411 ' O ' HD23 ' A' ' 85' ' ' LEU . 86.9 t -91.55 83.2 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.46 ' CG2' ' HG3' ' A' ' 30' ' ' GLU . 58.7 t -54.38 -49.6 63.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -113.22 104.28 12.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 97.7 p -78.84 -22.23 46.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -85.4 -30.43 23.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.835 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.16 -38.39 36.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.45 HD11 ' HB ' ' A' ' 15' ' ' VAL . 29.9 tp -61.8 -42.39 98.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.04 -47.72 34.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.055 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.6 mttp -53.59 -50.96 64.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.419 ' CE ' HD21 ' A' ' 18' ' ' LEU . 1.1 mmm -65.34 -44.09 88.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.557 ' CE2' HD23 ' A' ' 11' ' ' LEU . 22.1 t-105 -56.06 -50.4 71.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.481 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -50.23 -46.43 43.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.499 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -52.24 -30.86 29.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.8 0.333 . . . . 0.0 110.896 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -72.53 -39.59 67.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.72 11.28 34.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.37 32.36 20.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.481 ' OD1' ' N ' ' A' ' 59' ' ' ARG . 32.0 t-20 -100.63 89.43 3.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.91 -15.04 10.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.481 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 1.7 mtt180 -108.96 36.59 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.481 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 47.9 tpp -84.91 135.93 33.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.0 t -154.96 150.29 27.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -41.33 -46.12 3.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -47.86 -39.96 20.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -87.51 -47.84 8.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 tt -49.35 -39.79 33.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.9 m -57.44 -31.25 65.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -45.38 -40.24 7.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.43 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -78.35 -32.93 49.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.409 HD21 HD11 ' A' ' 11' ' ' LEU . 63.8 mt -65.99 -40.53 91.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.536 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -82.66 -18.06 42.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.473 ' O ' ' CD1' ' A' ' 71' ' ' TYR . 19.6 t80 -87.51 -17.45 32.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.469 ' CD1' ' HB ' ' A' ' 77' ' ' ILE . 7.2 m-85 -77.86 -17.31 57.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.536 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 25.7 m-85 -69.18 -3.2 12.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -98.87 -36.0 9.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.925 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.2 p -92.36 -8.45 44.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.3 -18.86 53.13 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.478 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.469 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 3.6 mm -39.08 -45.46 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.891 0.376 . . . . 0.0 111.152 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.3 mt -117.71 166.17 12.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.949 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.446 ' O ' HG23 ' A' ' 81' ' ' VAL . 0.3 OUTLIER -118.86 117.02 27.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.433 ' HA ' ' CE1' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -52.49 115.99 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 -179.892 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 79' ' ' GLU . 47.8 t -106.14 147.13 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.43 39.73 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.1 mtp85 -129.1 179.01 6.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.828 ' O ' HG23 ' A' ' 86' ' ' VAL . 15.4 ttt85 -98.6 132.08 44.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.411 HD23 ' O ' ' A' ' 41' ' ' VAL . 10.1 mp 43.88 42.59 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 84' ' ' ARG . 86.1 t -140.3 104.45 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.408 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 15.3 m-85 -109.97 171.88 7.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -149.3 126.54 11.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 95.5 m-85 -68.17 133.14 48.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -78.19 -150.6 4.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.42 -15.97 25.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.339 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.06 -32.81 72.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.465 ' HB1' ' CZ3' ' A' ' 12' ' ' TRP . . . -77.19 140.46 40.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.095 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 14.3 p-80 -124.3 149.13 46.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 116.95 -39.64 2.61 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.491 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.451 ' CZ2' ' HG3' ' A' ' 97' ' ' GLN . 29.5 p-90 -82.53 -42.26 18.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.745 0.307 . . . . 0.0 110.94 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.451 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 14' ' ' PHE . 8.6 tp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.76 0.314 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.544 ' CZ2' ' HG3' ' A' ' 13' ' ' GLU . 17.8 p-90 -40.25 -36.95 0.58 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.544 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.7 OUTLIER -75.45 -40.76 57.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.7 t80 -60.43 -49.96 75.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.8 p -68.52 -38.58 79.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.162 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 1.6 ttp180 -65.22 -38.66 91.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -57.46 -45.48 84.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.466 ' HB3' HD12 ' A' ' 29' ' ' LEU . 4.9 mp -49.53 -43.39 45.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.518 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 19.2 mt -59.13 -31.24 68.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mt -99.61 -6.95 26.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -118.73 82.09 19.76 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.691 0.758 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -6.66 19.15 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.713 2.275 . . . . 0.0 112.322 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -83.75 -28.54 28.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.36 -43.88 5.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -66.39 123.05 18.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.6 t -114.76 88.28 2.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 46.13 34.0 5.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.6 mt -90.01 -36.29 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.854 0.359 . . . . 0.0 111.137 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.466 HD12 ' HB3' ' A' ' 18' ' ' LEU . 1.9 mt -130.63 169.82 15.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -145.42 147.73 32.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.54 ' CD2' ' HD2' ' A' ' 34' ' ' ARG . 9.2 m95 -90.47 102.0 14.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.72 -31.86 46.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -166.82 90.69 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.838 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.54 ' HD2' ' CD2' ' A' ' 31' ' ' TRP . 2.7 tpt180 -51.35 -34.63 34.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -67.81 -46.99 70.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -84.98 -3.85 58.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.451 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 63.56 24.1 67.52 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 59.8 mt -88.97 125.37 42.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 111.135 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.424 ' CZ ' ' HB2' ' A' ' 87' ' ' TYR . 13.8 p90 -128.4 160.27 32.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -122.11 153.86 38.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.4 t -102.83 86.0 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.2 t -55.07 -38.76 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.2 mttm -118.37 112.65 20.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.572 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 87.5 p -88.66 -20.09 25.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.33 -29.35 18.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.19 -32.42 29.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.507 HD23 ' CE1' ' A' ' 62' ' ' TYR . 28.7 tp -61.13 -50.46 73.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.49 ' HA ' HD13 ' A' ' 65' ' ' LEU . . . -64.24 -46.74 82.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.073 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.3 mttp -53.16 -49.64 66.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.1 mmm -60.56 -45.48 93.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.892 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.414 ' CB ' HD12 ' A' ' 65' ' ' LEU . 30.0 t-105 -58.15 -54.78 43.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.485 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -43.62 -42.29 5.92 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -53.41 -41.66 66.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.446 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 15.4 mmm180 -68.27 -34.5 76.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -101.77 18.3 20.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER 36.44 33.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.895 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' LYS . 26.1 t-20 -96.42 93.26 6.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -59.66 -10.73 3.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.419 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 3.1 mmt180 -106.28 21.36 17.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.485 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 39.8 tpp -73.21 136.11 44.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 64' ' ' LYS . 2.4 p -153.23 144.99 23.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.572 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 7.4 t80 -41.92 -29.75 0.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.64 -42.13 78.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.419 ' CE ' ' O ' ' A' ' 59' ' ' ARG . 2.8 mtpp -82.33 -29.6 30.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.49 HD13 ' HA ' ' A' ' 48' ' ' ALA . 7.3 tt -69.48 -42.55 74.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.1 m -61.49 -22.61 65.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.5 ptt180 -50.49 -33.55 21.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -86.53 -26.72 24.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 98.3 mt -64.89 -35.56 81.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.565 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -86.16 -25.92 25.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -75.93 -15.22 60.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.935 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.452 ' CD1' ' HB ' ' A' ' 77' ' ' ILE . 8.2 m-85 -78.23 -18.75 54.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.929 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.565 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 23.6 m-85 -68.99 -14.11 62.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.9 mtpp -86.97 -40.2 15.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 29.0 p -86.66 -14.93 41.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.62 -12.99 65.91 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.452 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 9.7 mm -44.42 -46.21 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.866 0.365 . . . . 0.0 111.085 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.2 mt -113.92 172.44 6.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -125.75 125.33 42.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.06 122.52 13.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.5 t -114.91 145.94 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.02 28.72 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.889 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -135.29 136.77 41.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.707 ' O ' HG23 ' A' ' 86' ' ' VAL . 6.8 ptt-85 -67.95 161.46 26.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 84' ' ' ARG . 8.6 mp 37.02 30.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 84' ' ' ARG . 70.9 t -137.76 107.1 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.424 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 16.6 m-85 -114.74 168.3 10.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -149.67 127.6 11.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 97.6 m-85 -67.56 135.09 52.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -81.22 -147.07 5.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.462 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.68 -24.38 19.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.83 0.348 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -64.68 -31.57 72.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.32 153.91 39.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.1 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -139.81 166.54 24.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 96.39 -39.22 2.87 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.451 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 23.3 p-90 -85.43 -36.53 20.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.68 0.276 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.922 -179.959 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 14' ' ' PHE . 26.4 tp . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.823 0.344 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.565 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 29.5 p-90 -40.19 -35.15 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.565 ' HG2' ' CH2' ' A' ' 12' ' ' TRP . 1.0 OUTLIER -75.46 -38.88 59.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -64.24 -52.82 56.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.431 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 6.2 p -63.36 -36.06 74.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 4.1 ttp180 -69.17 -47.85 63.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -53.15 -33.58 53.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.523 HD22 ' HB2' ' A' ' 25' ' ' ASN . 16.4 mt -63.55 -46.36 86.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.492 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 13.0 mt -59.71 -30.98 69.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.7 mt -90.94 -15.82 29.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.9 m -114.7 81.31 7.06 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.628 0.728 . . . . 0.0 110.817 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -2.29 9.94 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -88.52 -25.6 22.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.35 -41.63 6.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.523 ' HB2' HD22 ' A' ' 18' ' ' LEU . 7.1 t30 -72.94 132.44 43.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.412 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 1.8 t -116.44 88.22 2.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 45.57 42.28 10.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.458 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.493 ' CD1' ' SD ' ' A' ' 50' ' ' MET . 23.1 mt -95.1 -29.85 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 111.129 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.631 HD23 ' HA ' ' A' ' 41' ' ' VAL . 2.1 mt -141.93 168.18 20.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -139.8 147.53 40.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.492 ' CE2' ' HB3' ' A' ' 19' ' ' LEU . 10.5 m95 -86.77 102.18 14.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 3.3 mm-40 -80.62 -29.87 36.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 32' ' ' GLU . 47.4 m-20 -162.06 104.22 1.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.5 mmm-85 -65.95 -41.62 91.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -54.63 38.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -75.11 -26.49 59.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.448 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 85.93 25.53 37.53 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.481 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 38.4 mt -86.78 138.26 19.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.885 0.374 . . . . 0.0 111.09 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 14.9 p90 -142.32 158.24 43.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.9 ttt180 -119.36 143.04 47.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.819 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.631 ' HA ' HD23 ' A' ' 29' ' ' LEU . 59.9 t -87.52 85.92 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.8 t -55.19 -50.43 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -111.69 85.45 2.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.534 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 81.1 p -64.22 -16.08 61.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -84.65 -53.39 5.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.32 -30.46 71.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.455 HD23 ' CE1' ' A' ' 62' ' ' TYR . 8.6 tp -60.65 -49.3 78.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.93 -50.99 60.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -49.8 -50.61 44.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.493 ' SD ' ' CD1' ' A' ' 28' ' ' ILE . 60.3 mtp -60.63 -49.19 78.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.722 ' CD1' HD12 ' A' ' 65' ' ' LEU . 26.9 t-105 -53.41 -47.39 69.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.469 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -52.13 -46.37 56.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.538 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -53.8 -30.65 45.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.792 0.329 . . . . 0.0 110.915 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -74.49 -40.03 62.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.39 5.18 52.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 52' ' ' GLY . 8.0 mtmt 60.08 29.67 19.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -97.0 85.46 3.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.79 -19.19 3.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -103.44 32.22 3.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.469 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 46.1 tpp -79.45 131.91 36.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.415 HG23 ' H ' ' A' ' 64' ' ' LYS . 14.6 t -152.02 138.54 18.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.078 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.534 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 4.0 t80 -38.86 -35.88 0.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -56.88 -45.15 82.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.415 ' H ' HG23 ' A' ' 61' ' ' THR . 56.7 mttm -84.98 -39.91 17.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.722 HD12 ' CD1' ' A' ' 51' ' ' TRP . 4.7 tt -55.44 -45.43 76.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 64.0 p -50.83 -32.48 20.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.41 -41.28 13.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.01 -32.24 61.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.072 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.451 ' HA ' ' CD1' ' A' ' 78' ' ' LEU . 57.2 mt -65.43 -33.36 75.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.562 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 4.7 mmm180 -87.89 -20.95 25.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -83.63 -21.44 32.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -70.68 -28.53 64.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.562 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 24.8 m-85 -57.95 -28.38 64.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -68.79 -37.2 79.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.1 p -90.77 -23.83 20.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.19 -22.18 27.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.468 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.663 HD13 ' HB3' ' A' ' 92' ' ' ASN . 25.2 mm -38.24 -45.06 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.369 . . . . 0.0 111.125 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.482 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 9.9 mt -111.93 165.93 11.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.493 ' O ' HG23 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -119.72 123.09 42.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.41 125.03 16.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.85 HG12 ' H ' ' A' ' 83' ' ' ARG . 92.8 t -123.31 138.42 53.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -101.67 30.65 4.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.85 ' H ' HG12 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -112.07 175.85 5.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.806 ' O ' HG23 ' A' ' 86' ' ' VAL . 4.9 tpt180 -84.45 121.31 27.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.8 mp 41.94 40.84 1.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 84' ' ' ARG . 75.2 t -121.92 110.49 27.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -114.38 168.18 10.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -150.55 136.51 18.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 92.9 m-85 -74.47 124.87 27.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -71.47 -155.85 2.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.45 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.19 -22.57 22.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.663 ' HB3' HD13 ' A' ' 77' ' ' ILE . 0.8 OUTLIER -64.81 -34.83 79.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.95 162.28 29.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -146.49 178.78 8.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.85 -35.67 4.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.5 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.448 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 41.4 p-90 -88.11 -41.96 12.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.733 0.302 . . . . 0.0 110.942 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.424 ' O ' HD12 ' A' ' 11' ' ' LEU . 3.6 tp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.805 0.336 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.524 ' CZ2' ' HG3' ' A' ' 13' ' ' GLU . 17.6 p-90 -41.78 -36.85 1.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.524 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -76.61 -41.22 46.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -61.11 -57.87 10.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.3 p -58.55 -40.38 78.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.126 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.51 ' HB2' ' CE1' ' A' ' 89' ' ' PHE . 4.9 ttp180 -62.29 -43.46 98.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.57 -51.05 61.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.9 mp -44.81 -44.58 9.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.441 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . 41.3 mt -57.56 -36.51 71.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.7 mt -94.61 -6.13 44.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -120.42 82.2 31.85 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.638 0.732 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -10.71 29.24 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.256 . . . . 0.0 112.364 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -79.84 -24.73 41.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.39 -45.22 4.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -65.24 119.88 11.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.11 85.34 2.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.55 37.02 25.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.45 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.0 mt -97.42 -23.21 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.874 0.368 . . . . 0.0 111.15 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.2 mt -142.27 167.77 21.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -146.76 146.97 30.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.441 ' NE1' ' HB3' ' A' ' 19' ' ' LEU . 7.6 m95 -90.44 98.83 12.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -77.67 -30.76 52.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.87 105.47 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -40.38 83.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -54.02 50.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -76.17 -30.09 57.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.496 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 91.27 27.2 18.94 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.443 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.7 mt -88.98 132.94 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.895 0.379 . . . . 0.0 111.116 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.54 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 33.6 p90 -131.68 158.55 40.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.436 ' HG2' ' N ' ' A' ' 41' ' ' VAL . 43.3 ttt180 -118.82 149.96 40.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.436 ' N ' ' HG2' ' A' ' 40' ' ' ARG . 99.1 t -99.63 84.11 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.4 t -53.55 -47.69 59.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.9 mttm -114.45 104.61 12.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.538 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 83.6 p -76.88 -27.55 55.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -77.69 -43.61 30.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.63 -37.43 76.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.065 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 36.7 tp -56.22 -48.11 77.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.571 ' HA ' HD13 ' A' ' 65' ' ' LEU . . . -70.72 -50.98 30.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.078 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.03 -48.32 43.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.4 mmm -66.03 -44.6 84.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.787 ' CD1' HD12 ' A' ' 65' ' ' LEU . 24.2 t-105 -52.55 -54.61 30.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 56' ' ' LYS . . . -48.94 -47.94 31.32 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -48.97 -38.07 22.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.748 0.308 . . . . 0.0 110.877 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -71.7 -41.19 68.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.834 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.93 -2.71 58.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 52' ' ' GLY . 0.4 OUTLIER 52.34 30.82 8.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.841 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -58.67 -88.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -179.44 -55.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 60' ' ' MET . 0.8 OUTLIER -149.61 37.77 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 59' ' ' ARG . 31.0 tpp -34.51 140.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.897 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 59' ' ' ARG . 0.7 OUTLIER -138.96 141.69 38.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.186 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.538 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 8.4 t80 -37.4 -32.37 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.964 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 61' ' ' THR . 2.2 tt0 -61.05 -47.27 87.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 61' ' ' THR . 2.4 mtpp -80.86 -35.63 32.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.787 HD12 ' CD1' ' A' ' 51' ' ' TRP . 5.6 tt -62.33 -42.87 99.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.959 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.466 ' HA ' HD12 ' A' ' 69' ' ' LEU . 21.7 p -54.95 -31.08 60.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.46 ' CG ' ' N ' ' A' ' 68' ' ' ALA . 12.9 ptt180 -47.14 -45.61 22.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.46 ' N ' ' CG ' ' A' ' 67' ' ' ARG . . . -74.09 -38.64 63.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 66' ' ' SER . 90.3 mt -51.6 -42.16 61.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.575 ' HA ' ' CD2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -83.68 -21.14 32.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -74.66 -26.56 59.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -69.25 -24.27 63.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.575 ' CD2' ' HA ' ' A' ' 70' ' ' ARG . 23.3 m-85 -61.97 -8.58 5.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -95.64 -27.46 15.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.6 p -98.66 -13.65 20.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.34 -20.64 49.43 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 13.9 mm -41.33 -45.95 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.888 0.375 . . . . 0.0 111.141 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.8 mt -114.68 172.29 7.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -129.97 125.48 35.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.404 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -58.65 129.65 43.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.412 HG12 ' H ' ' A' ' 83' ' ' ARG . 45.3 t -118.72 143.98 28.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -94.31 32.28 1.57 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.412 ' H ' HG12 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -119.3 -175.13 2.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.671 ' O ' HG23 ' A' ' 86' ' ' VAL . 21.5 ttp180 -106.74 127.91 53.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.2 mp 49.79 37.0 12.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 84' ' ' ARG . 92.3 t -132.73 109.19 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 34.4 m-85 -110.04 173.9 6.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -151.66 134.98 16.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.932 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.54 ' CE2' ' CD1' ' A' ' 39' ' ' PHE . 89.8 m-85 -77.02 124.19 27.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.844 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -71.13 -152.66 1.07 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.524 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.53 -25.64 20.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.78 0.324 . . . . 0.0 110.857 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.84 -34.41 73.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.423 ' HB1' ' CZ3' ' A' ' 12' ' ' TRP . . . -77.74 138.45 39.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.083 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 31.5 p80 -129.57 119.64 23.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 160.65 -41.09 0.43 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.498 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.496 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 61.2 p-90 -84.93 -53.99 4.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.761 0.315 . . . . 0.0 110.893 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.451 ' N ' ' CG ' ' A' ' 96' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.466 HD23 ' HB3' ' A' ' 68' ' ' ALA . 27.0 tp . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.82 0.343 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 72' ' ' TYR . 18.5 p-90 -40.79 -32.6 0.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.413 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.3 OUTLIER -78.9 -39.9 33.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.437 ' CD1' ' N ' ' A' ' 15' ' ' VAL . 1.5 t80 -61.73 -57.32 12.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.437 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 6.2 p -58.33 -43.55 86.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.166 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.543 ' HB2' ' CE1' ' A' ' 89' ' ' PHE . 1.9 ttp180 -60.31 -37.33 80.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -57.92 -50.51 73.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.429 ' HB3' HD12 ' A' ' 29' ' ' LEU . 8.0 mp -44.28 -45.06 8.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.507 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 34.0 mt -58.72 -38.13 77.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.0 mt -92.07 -6.33 51.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.4 m -122.07 81.62 43.7 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.691 0.758 . . . . 0.0 110.823 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -5.61 16.6 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.683 2.255 . . . . 0.0 112.383 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -84.66 -26.27 27.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.7 -46.45 4.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -62.88 120.95 12.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.12 87.17 2.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.15 41.56 30.56 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.527 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.7 mt -100.46 -35.55 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.869 0.366 . . . . 0.0 111.126 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.429 HD12 ' HB3' ' A' ' 18' ' ' LEU . 1.5 mt -130.59 174.51 9.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.478 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 1.0 OUTLIER -147.97 142.86 26.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.507 ' CE2' ' HB3' ' A' ' 19' ' ' LEU . 5.9 m95 -87.18 93.21 9.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.95 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.66 -34.08 69.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -159.73 112.54 2.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 34' ' ' ARG . 5.6 mmm180 -70.84 -40.05 72.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.58 -51.58 64.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -76.47 -34.53 58.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.456 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 93.47 24.61 20.89 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.429 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 12.5 mt -84.94 134.93 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.866 0.365 . . . . 0.0 111.132 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.494 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 49.5 p90 -134.55 151.15 50.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -112.17 145.57 39.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 92.9 t -91.15 84.04 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.478 ' CG2' ' HG3' ' A' ' 30' ' ' GLU . 68.2 t -53.04 -50.8 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -115.41 91.09 3.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.473 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 82.7 p -63.18 -23.88 67.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.836 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -80.71 -52.73 7.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.73 -32.86 72.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.116 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 34.1 tp -56.8 -51.41 69.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.5 ' HA ' HD13 ' A' ' 65' ' ' LEU . . . -71.12 -38.87 72.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.046 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.2 -49.04 75.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -65.56 -47.91 74.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 27.8 t-105 -52.88 -57.01 11.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.444 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -44.64 -44.17 8.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -57.88 -31.86 67.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.808 0.337 . . . . 0.0 110.901 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -73.16 -35.68 66.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.93 4.33 53.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.15 30.17 19.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -105.06 137.7 42.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.15 -4.82 28.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -106.37 24.45 12.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.444 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 39.9 tpp -79.89 134.22 36.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 62' ' ' TYR . 14.5 t -160.4 137.46 9.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.168 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.473 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 8.3 t80 -34.53 -43.65 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -49.78 -49.37 48.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 61' ' ' THR . 54.2 mttm -81.7 -42.86 19.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.5 HD13 ' HA ' ' A' ' 48' ' ' ALA . 7.0 tt -52.55 -38.79 60.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 69' ' ' LEU . 20.0 m -55.67 -34.73 65.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -43.85 -41.01 4.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.566 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -73.13 -31.81 64.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.046 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.531 HD13 ' CE2' ' A' ' 87' ' ' TYR . 85.4 mt -65.98 -37.01 84.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.429 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 3.2 mtt-85 -86.52 -21.25 27.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -82.7 -19.46 38.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.566 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 12.9 m-85 -73.62 -26.34 60.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.951 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.454 ' CD2' ' HD2' ' A' ' 80' ' ' ARG . 23.6 m-85 -59.42 -31.95 69.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.8 -44.85 88.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 46.3 p -84.55 -14.22 49.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 95.49 -14.58 64.75 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.5 mm -43.08 -40.6 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 111.129 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.6 mt -117.39 160.96 20.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.455 ' O ' HG23 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -117.72 117.81 30.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.454 ' HD2' ' CD2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -46.44 129.37 10.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.76 HG12 ' H ' ' A' ' 83' ' ' ARG . 84.7 t -120.36 139.15 48.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.57 32.68 3.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.76 ' H ' HG12 ' A' ' 81' ' ' VAL . 0.6 OUTLIER -117.02 -175.53 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.849 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.439 ' O ' HG23 ' A' ' 86' ' ' VAL . 11.7 ttp180 -97.9 120.95 39.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 85' ' ' LEU . 3.8 mm? 46.67 38.0 5.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.691 ' O ' HG11 ' A' ' 81' ' ' VAL . 18.7 t -126.01 105.25 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.13 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.531 ' CE2' HD13 ' A' ' 69' ' ' LEU . 6.5 m-85 -108.0 170.57 7.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -151.93 135.84 16.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.894 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.543 ' CE1' ' HB2' ' A' ' 16' ' ' ARG . 99.0 m-85 -73.74 134.59 43.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.836 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -81.0 -156.64 14.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -22.8 27.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.812 0.339 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -66.13 -30.77 71.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -81.76 130.67 35.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -117.85 165.65 13.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 104.68 -42.1 1.98 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.456 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 47.1 p-90 -79.83 -40.16 29.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.699 0.285 . . . . 0.0 110.901 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.541 HD23 ' HB3' ' A' ' 68' ' ' ALA . 14.6 tp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.807 0.337 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.448 ' CZ2' ' HG3' ' A' ' 13' ' ' GLU . 10.6 p-90 -43.52 -31.51 0.73 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.448 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.7 OUTLIER -80.66 -39.45 27.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.433 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 1.1 t80 -64.88 -51.19 63.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.497 ' HA ' HD12 ' A' ' 18' ' ' LEU . 7.6 p -63.18 -34.11 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.468 ' HE ' ' N ' ' A' ' 17' ' ' ASP . 2.7 ttp180 -71.61 -48.28 49.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.832 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.468 ' N ' ' HE ' ' A' ' 16' ' ' ARG . 11.3 t70 -53.37 -36.18 61.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.533 HD21 ' CE ' ' A' ' 50' ' ' MET . 9.0 mt -57.76 -42.66 84.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.7 mt -62.84 -39.74 95.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.4 mt -81.91 -16.87 49.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.7 m -111.91 81.11 3.37 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.653 0.739 . . . . 0.0 110.832 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -3.56 12.32 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.637 2.224 . . . . 0.0 112.349 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -90.14 -23.85 21.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.31 -38.52 7.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 26' ' ' CYS . 5.7 t30 -75.84 133.36 40.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.459 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 5.5 t -116.43 85.99 2.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 44.73 42.6 7.69 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.467 HG23 ' HB2' ' A' ' 43' ' ' LYS . 19.1 mt -97.2 -28.45 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.866 0.365 . . . . 0.0 111.142 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.631 HD23 ' HA ' ' A' ' 41' ' ' VAL . 8.5 mt -135.23 170.99 15.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -146.64 151.0 36.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.533 ' CD1' ' HD3' ' A' ' 34' ' ' ARG . 10.5 m95 -96.7 115.49 27.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -88.0 -38.17 15.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -165.68 83.19 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.533 ' HD3' ' CD1' ' A' ' 31' ' ' TRP . 5.5 mmm180 -38.75 -48.34 1.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -47.3 -54.85 9.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -78.02 -16.53 58.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.927 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.551 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 78.53 18.21 76.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.474 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 36.6 mt -82.22 133.57 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.579 ' CE1' ' CE1' ' A' ' 89' ' ' PHE . 26.9 p90 -137.52 154.32 49.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -114.46 141.91 47.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.631 ' HA ' HD23 ' A' ' 29' ' ' LEU . 48.3 t -94.16 85.3 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.1 t -52.47 -51.48 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.467 ' HB2' HG23 ' A' ' 28' ' ' ILE . 41.2 mttm -108.39 101.57 10.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.8 p -77.24 -25.36 51.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -80.85 -36.94 30.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.16 -37.14 58.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.7 tp -54.95 -45.62 74.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.98 -49.14 30.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -48.93 -45.85 42.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.533 ' CE ' HD21 ' A' ' 18' ' ' LEU . 2.8 mmm -68.03 -44.88 75.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.831 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 27.1 t-105 -55.87 -52.67 63.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.439 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -46.99 -47.13 20.05 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.53 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -52.73 -31.56 38.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.777 0.322 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -75.46 -35.98 60.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.14 10.89 40.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 54.19 31.44 14.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 -97.3 86.61 3.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -55.94 -19.79 13.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -103.32 28.33 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.439 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 23.5 tpp -74.61 133.89 42.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.3 t -152.71 143.86 23.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.18 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -42.32 -28.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -64.0 -43.54 95.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -85.05 -35.2 22.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.5 tt -60.28 -39.23 86.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 69' ' ' LEU . 33.3 p -55.42 -33.94 63.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.406 ' CG ' ' N ' ' A' ' 68' ' ' ALA . 3.1 ptt85 -41.66 -43.13 2.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.597 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -74.3 -32.42 62.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.432 ' HA ' HD12 ' A' ' 78' ' ' LEU . 40.9 mt -67.19 -32.35 73.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.581 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 1.1 mmm180 -85.15 -24.01 28.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -86.46 -15.11 41.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 10.7 m-85 -78.77 -11.07 59.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.581 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 21.1 m-85 -72.81 -55.25 6.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.64 -42.44 78.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 p -74.91 -18.13 60.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.03 -13.18 68.32 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.471 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.505 HG21 ' CD1' ' A' ' 72' ' ' TYR . 3.7 mm -47.45 -41.87 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.797 0.332 . . . . 0.0 111.153 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.465 HD12 ' HB2' ' A' ' 72' ' ' TYR . 12.6 mt -116.43 170.07 8.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.31 123.51 42.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.22 120.83 9.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 89.3 t -118.77 141.22 39.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -93.99 44.75 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -130.89 179.38 6.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.763 ' O ' HG23 ' A' ' 86' ' ' VAL . 3.7 ttm-85 -104.86 134.62 47.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.3 mp 47.83 33.16 3.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 84' ' ' ARG . 88.8 t -132.56 109.84 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -115.47 172.41 7.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -151.11 133.9 15.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.579 ' CE1' ' CE1' ' A' ' 39' ' ' PHE . 96.5 m-85 -75.33 123.75 25.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.79 -150.1 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.0 -13.47 26.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.77 0.319 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -75.76 -31.03 59.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.48 127.86 34.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.082 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -115.71 143.72 44.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 123.51 -40.59 1.94 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.551 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 37.0 p-90 -84.35 -42.65 15.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.676 0.274 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.453 ' N ' ' CD2' ' A' ' 96' ' ' TRP . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.747 HD23 ' NE1' ' A' ' 51' ' ' TRP . 1.5 tm? . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.82 0.343 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.647 ' CZ3' ' HB1' ' A' ' 93' ' ' ALA . 20.1 p-90 -52.29 -44.48 65.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.596 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -69.67 -45.16 69.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.833 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 51' ' ' TRP . 3.0 t80 -48.51 -55.11 11.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 11' ' ' LEU . 3.6 p -66.64 -23.6 31.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.125 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 3.6 ttp180 -77.79 -34.57 52.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 21' ' ' SER . 21.2 t70 -61.99 -51.37 68.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.405 ' HB3' HD12 ' A' ' 29' ' ' LEU . 8.1 mp -43.77 -44.0 6.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.412 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 62.0 mt -60.41 -36.31 77.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mt -93.19 -9.69 38.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 17' ' ' ASP . 4.7 m -121.39 85.7 42.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.643 0.735 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -8.93 24.87 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.698 2.265 . . . . 0.0 112.356 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -78.1 -29.97 49.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.06 -42.35 6.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -67.71 118.52 11.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.38 84.82 2.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.17 36.89 57.83 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.1 mt -96.42 -39.91 9.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.899 0.38 . . . . 0.0 111.127 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.47 HD21 HD13 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -130.66 171.51 12.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.467 ' CG ' ' HB3' ' A' ' 40' ' ' ARG . 4.4 pt-20 -148.74 151.36 34.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.517 ' CD2' ' HD2' ' A' ' 34' ' ' ARG . 27.9 m95 -91.61 125.14 36.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -99.37 -49.77 4.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -149.31 71.04 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.517 ' HD2' ' CD2' ' A' ' 31' ' ' TRP . 5.6 tpt180 -34.44 -42.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -53.23 -51.53 61.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 33' ' ' ASP . 4.1 mt-30 -78.56 -26.67 45.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.415 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 90.24 27.22 21.38 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.445 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.5 mt -94.48 138.15 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.841 0.353 . . . . 0.0 111.154 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -140.76 152.66 45.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.467 ' HB3' ' CG ' ' A' ' 30' ' ' GLU . 42.0 ttt180 -111.61 148.05 34.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.526 HG13 HD22 ' A' ' 47' ' ' LEU . 57.9 t -94.43 83.77 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 77.5 t -48.91 -57.27 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -110.76 100.37 9.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.868 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.588 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 89.6 p -68.68 -28.22 66.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -75.67 -53.28 8.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.7 -37.47 81.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.526 HD22 HG13 ' A' ' 41' ' ' VAL . 49.6 tp -57.53 -46.98 83.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.447 ' HA ' HD13 ' A' ' 65' ' ' LEU . . . -73.91 -52.11 13.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -45.92 -48.82 16.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.24 -47.08 78.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.747 ' NE1' HD23 ' A' ' 11' ' ' LEU . 20.8 t-105 -52.8 -55.83 20.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.03 -47.1 15.04 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.525 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -50.06 -33.66 19.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 0.0 110.913 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -69.44 -41.83 75.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.66 3.96 51.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 47.21 48.9 15.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.49 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 32.5 t30 -93.5 -43.39 8.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 0.3 OUTLIER 82.93 -37.04 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -101.0 39.52 1.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 54.5 tpp -91.1 138.44 31.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 62' ' ' TYR . 8.8 t -157.47 144.99 18.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.141 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.588 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 4.2 t80 -36.11 -50.39 0.71 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -44.65 -44.97 9.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -83.8 -48.43 10.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.516 ' HG ' HD21 ' A' ' 11' ' ' LEU . 7.1 tt -45.7 -44.31 13.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.7 p -49.51 -35.18 19.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -44.19 -40.5 5.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.931 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.599 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -74.69 -34.23 62.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.626 HD13 ' CE2' ' A' ' 87' ' ' TYR . 75.3 mt -65.66 -35.02 79.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.501 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 9.2 mtm180 -83.23 -28.36 29.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.433 ' CD1' ' HE2' ' A' ' 74' ' ' LYS . 67.5 t80 -77.83 -15.19 59.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 14.2 m-85 -80.48 -21.53 41.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.501 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 23.3 m-85 -64.5 -34.42 78.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.433 ' HE2' ' CD1' ' A' ' 71' ' ' TYR . 4.3 mtmp? -63.37 -49.83 72.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.9 p -76.8 -24.73 52.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.27 -14.49 47.65 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.529 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.5 mm -43.09 -39.98 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 69' ' ' LEU . 10.1 mt -117.24 159.29 22.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -113.27 119.5 37.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -52.76 115.08 1.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.837 HG12 ' H ' ' A' ' 83' ' ' ARG . 74.4 t -106.48 141.74 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -101.97 33.58 2.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.837 ' H ' HG12 ' A' ' 81' ' ' VAL . 19.1 mtt85 -119.05 175.67 5.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.962 ' O ' HG23 ' A' ' 86' ' ' VAL . 16.6 ttp180 -85.81 128.16 34.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 84' ' ' ARG . 10.2 mp 37.92 43.0 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.951 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.962 HG23 ' O ' ' A' ' 84' ' ' ARG . 81.8 t -128.89 107.69 16.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.626 ' CE2' HD13 ' A' ' 69' ' ' LEU . 31.4 m-85 -109.4 169.64 8.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.3 tttm -151.88 135.29 16.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 80.4 m-85 -73.67 130.29 39.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.875 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.77 -154.27 6.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.51 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.85 -25.53 20.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.769 0.319 . . . . 0.0 110.86 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -34.65 75.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.647 ' HB1' ' CZ3' ' A' ' 12' ' ' TRP . . . -75.88 177.94 6.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 20.5 p80 -162.02 174.04 13.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 96.31 -45.16 1.93 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.571 ' CZ2' ' HG3' ' A' ' 97' ' ' GLN . 46.3 p-90 -76.25 -45.53 32.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.685 0.279 . . . . 0.0 110.941 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.571 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 1.7 mt-30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.747 HD23 ' CE2' ' A' ' 51' ' ' TRP . 2.4 tm? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.795 0.331 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.546 ' HB3' ' CE2' ' A' ' 72' ' ' TYR . 26.8 p-90 -45.79 -34.96 4.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.963 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.531 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -76.84 -40.71 46.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.7 -51.57 69.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.2 p -61.48 -40.51 86.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.105 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.451 ' HE ' ' N ' ' A' ' 17' ' ' ASP . 2.1 ttp180 -65.03 -49.63 69.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.451 ' N ' ' HE ' ' A' ' 16' ' ' ARG . 32.8 t0 -52.29 -37.98 57.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.505 HD22 ' HB2' ' A' ' 25' ' ' ASN . 13.2 mt -54.41 -45.84 73.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.466 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . 13.6 mt -60.8 -42.8 98.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.6 mt -80.13 -13.32 59.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.2 m -118.82 83.77 23.67 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.654 0.74 . . . . 0.0 110.852 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -9.75 26.88 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.36 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -77.27 -29.04 53.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.78 -40.76 7.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.944 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.505 ' HB2' HD22 ' A' ' 18' ' ' LEU . 14.4 t30 -76.04 128.69 35.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.5 87.21 2.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.23 39.82 28.39 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.5 mt -92.59 -33.67 5.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 0.0 111.118 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.706 HD23 ' HA ' ' A' ' 41' ' ' VAL . 4.8 mt -134.13 172.68 12.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.47 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 3.1 mt-10 -143.61 143.11 31.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.492 ' CD2' ' HD2' ' A' ' 34' ' ' ARG . 16.3 m95 -87.5 96.13 10.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -78.45 -34.17 47.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.829 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -159.07 101.82 1.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.492 ' HD2' ' CD2' ' A' ' 31' ' ' TRP . 47.5 mmm-85 -65.81 -44.61 85.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.826 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.93 -49.15 78.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.401 ' O ' ' HE2' ' A' ' 88' ' ' LYS . 2.8 mt-30 -75.99 -28.96 58.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.8 30.83 16.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.51 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.1 mt -97.11 136.96 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 111.112 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.423 ' HD2' HD22 ' A' ' 29' ' ' LEU . 18.5 p90 -140.49 151.05 44.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -111.49 146.41 37.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.844 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.706 ' HA ' HD23 ' A' ' 29' ' ' LEU . 81.0 t -92.47 82.49 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.47 ' CG2' ' HG3' ' A' ' 30' ' ' GLU . 97.2 t -49.91 -50.08 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.168 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.2 mttm -115.94 105.43 12.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.449 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 96.9 p -77.73 -15.93 58.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -89.74 -42.71 11.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.58 -37.78 77.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 30.2 tp -59.93 -47.22 86.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.73 -47.71 58.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -50.14 -46.55 54.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.3 mmm -69.25 -41.22 77.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.747 ' CE2' HD23 ' A' ' 11' ' ' LEU . 21.4 t-105 -57.89 -54.22 49.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.476 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -46.12 -48.65 14.8 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -49.59 -39.52 35.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 0.0 110.946 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -64.81 -36.24 83.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.2 14.61 31.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.01 33.13 8.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.441 ' C ' ' OD1' ' A' ' 57' ' ' ASN . 28.1 t-20 -96.39 86.02 4.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -54.08 -23.46 13.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.422 ' C ' ' OD1' ' A' ' 57' ' ' ASN . 0.8 OUTLIER -104.72 40.55 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.875 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.512 ' CE ' ' CD1' ' A' ' 51' ' ' TRP . 40.7 tpp -92.03 131.24 37.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.0 t -151.55 149.75 29.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.136 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.449 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 5.4 t80 -38.43 -53.88 1.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -42.24 -40.87 2.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -85.78 -51.43 6.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.945 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.641 HD12 ' CD1' ' A' ' 51' ' ' TRP . 5.0 tt -44.63 -45.64 9.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 69' ' ' LEU . 26.0 p -47.8 -35.69 10.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' A' ' 68' ' ' ALA . 11.7 ptt-85 -40.69 -40.68 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.529 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -79.51 -30.6 41.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.121 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 66' ' ' SER . 80.3 mt -67.59 -38.38 83.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.502 ' HA ' ' CD2' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -85.96 -23.46 26.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -80.26 -16.3 55.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.546 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 6.3 m-85 -77.26 -30.18 54.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.915 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.564 ' CD2' ' HD2' ' A' ' 80' ' ' ARG . 24.3 m-85 -56.59 -27.79 58.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -66.77 -44.95 80.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 33.6 p -84.99 -22.57 29.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 106.79 -18.04 37.93 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.8 mm -40.52 -41.23 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.842 0.353 . . . . 0.0 111.096 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.455 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 11.4 mt -116.46 165.13 13.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.95 120.21 32.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.564 ' HD2' ' CD2' ' A' ' 73' ' ' TYR . 2.3 ttt180 -61.48 120.81 11.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.3 t -112.62 135.49 51.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.62 39.78 0.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -119.49 -178.06 3.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.509 ' O ' HG23 ' A' ' 86' ' ' VAL . 26.1 tpt180 -100.88 119.27 38.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.405 HD23 ' CD ' ' A' ' 84' ' ' ARG . 3.9 mm? 51.18 36.42 15.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 84' ' ' ARG . 55.8 t -126.5 104.11 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -103.79 169.68 8.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.401 ' HE2' ' O ' ' A' ' 36' ' ' GLN . 14.3 tttt -151.71 132.5 14.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -72.34 131.61 42.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.98 -151.03 4.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.447 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.83 -22.01 18.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.82 0.343 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -63.77 -32.03 73.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.493 ' HB1' ' CZ3' ' A' ' 12' ' ' TRP . . . -82.36 132.49 35.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -123.3 133.13 54.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 149.4 -44.29 0.73 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.461 ' CG ' ' N ' ' A' ' 97' ' ' GLN . 59.1 p-90 -84.26 -54.94 4.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.686 0.279 . . . . 0.0 110.885 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.461 ' N ' ' CG ' ' A' ' 96' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.482 ' CD2' ' HB3' ' A' ' 68' ' ' ALA . 17.1 tp . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.772 0.32 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.517 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 21.1 p-90 -40.59 -39.99 1.17 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.517 ' HG2' ' CH2' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -69.09 -40.98 78.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.459 ' CD1' ' N ' ' A' ' 15' ' ' VAL . 1.5 t80 -62.46 -58.49 7.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.459 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 2.3 p -61.18 -24.41 33.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.471 ' HB2' ' CE1' ' A' ' 89' ' ' PHE . 2.0 ttp180 -77.32 -41.8 39.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 21' ' ' SER . 27.0 t70 -56.24 -47.26 78.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.429 ' HB3' HD12 ' A' ' 29' ' ' LEU . 8.5 mp -48.54 -45.12 37.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.506 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 15.0 mt -62.23 -35.09 77.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.0 mt -95.58 -3.33 46.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 17' ' ' ASP . 3.2 m -125.32 83.98 60.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.724 0.773 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -4.22 13.64 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.652 2.235 . . . . 0.0 112.338 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -85.79 -26.9 25.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.07 -47.04 4.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -63.23 124.02 20.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.7 89.14 3.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 43.86 36.96 3.89 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.455 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.413 HG23 ' HB2' ' A' ' 43' ' ' LYS . 11.1 mt -94.4 -31.82 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.874 0.369 . . . . 0.0 111.143 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.429 HD12 ' HB3' ' A' ' 18' ' ' LEU . 1.0 OUTLIER -133.66 170.59 15.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -145.1 145.39 31.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.523 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 5.9 m95 -90.04 104.23 16.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -81.32 -38.72 26.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.493 ' HB2' ' CG1' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -152.89 104.27 2.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.523 ' HD3' ' CG ' ' A' ' 31' ' ' TRP . 0.8 OUTLIER -68.25 -25.46 65.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.872 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -71.44 -51.13 25.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.434 ' O ' ' CE ' ' A' ' 88' ' ' LYS . 3.5 mt-30 -89.15 -16.68 30.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.567 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 85.7 31.72 20.53 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.461 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.493 ' CG1' ' HB2' ' A' ' 33' ' ' ASP . 8.4 mm -78.62 127.22 38.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.876 0.369 . . . . 0.0 111.105 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.588 ' CZ ' ' HB2' ' A' ' 87' ' ' TYR . 51.0 p90 -137.81 146.77 43.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.451 ' HG2' ' N ' ' A' ' 41' ' ' VAL . 6.0 ttt180 -115.82 148.83 39.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.451 ' N ' ' HG2' ' A' ' 40' ' ' ARG . 97.0 t -96.27 80.17 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.8 t -49.67 -52.24 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.413 ' HB2' HG23 ' A' ' 28' ' ' ILE . 31.1 mttm -110.06 91.5 3.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.499 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 35.0 p -67.47 -26.61 66.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -76.85 -38.38 53.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.17 -30.01 48.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.1 tp -61.86 -44.39 96.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.26 -46.08 43.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.23 -46.69 62.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.5 mmm -66.28 -48.95 68.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.49 ' CD1' HD12 ' A' ' 65' ' ' LEU . 17.1 t-105 -51.59 -54.93 22.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -48.08 -44.25 25.84 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.451 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -52.03 -31.74 31.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.788 0.327 . . . . 0.0 110.929 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -73.38 -37.01 66.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -95.62 8.54 43.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 40.66 48.96 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 43.1 t30 -92.68 -44.22 8.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 0.9 OUTLIER 83.64 -34.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -102.31 34.7 2.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 52.5 tpp -87.08 133.15 33.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.3 t -149.18 146.54 27.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.113 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.499 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 7.3 t80 -38.24 -49.65 1.38 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -48.11 -41.74 27.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -81.97 -48.36 11.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.49 HD12 ' CD1' ' A' ' 51' ' ' TRP . 4.7 tt -49.1 -51.48 31.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.924 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 69' ' ' LEU . 43.0 m -43.82 -37.91 3.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -42.65 -38.79 2.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.482 ' HB3' ' CD2' ' A' ' 11' ' ' LEU . . . -78.46 -29.62 46.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 66' ' ' SER . 69.1 mt -66.67 -33.52 75.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.505 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -86.54 -21.86 26.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -84.39 -20.43 31.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.429 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 8.6 m-85 -74.02 -19.72 60.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.957 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.505 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 23.6 m-85 -64.55 -23.98 67.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.902 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -76.76 -46.92 23.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.9 p -77.14 -15.95 59.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.01 -5.82 72.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.3 mm -54.01 -41.83 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.811 0.339 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.461 HD23 ' O ' ' A' ' 88' ' ' LYS . 7.1 mt -115.52 166.76 11.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.11 122.66 37.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.34 133.61 34.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.843 HG12 ' H ' ' A' ' 83' ' ' ARG . 57.8 t -126.9 137.23 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.92 32.13 1.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.843 ' H ' HG12 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -116.6 177.89 4.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.881 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.875 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -90.06 126.46 35.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.874 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.7 mp 40.99 44.55 2.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.875 HG23 ' O ' ' A' ' 84' ' ' ARG . 83.1 t -129.64 118.44 45.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.588 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 25.4 m-85 -121.6 172.36 8.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.942 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.461 ' O ' HD23 ' A' ' 78' ' ' LEU . 7.5 tttt -151.27 141.85 22.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.471 ' CE1' ' HB2' ' A' ' 16' ' ' ARG . 95.9 m-85 -82.47 123.48 29.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.95 -146.29 0.28 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -93.87 -22.47 18.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.808 0.337 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -67.61 -28.39 67.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.464 ' HB1' ' CZ3' ' A' ' 12' ' ' TRP . . . -86.16 139.51 31.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -119.56 164.98 15.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 102.9 -49.05 0.99 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.51 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.567 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 24.6 p-90 -75.49 -46.69 30.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.775 0.322 . . . . 0.0 110.907 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.543 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 1.3 mt-30 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 14' ' ' PHE . 39.1 tp . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.812 0.339 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.488 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 32.0 p-90 -40.22 -34.55 0.32 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.488 ' HG2' ' CH2' ' A' ' 12' ' ' TRP . 0.3 OUTLIER -75.18 -42.63 55.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.426 ' CD2' ' HG3' ' A' ' 54' ' ' ARG . 1.2 t80 -62.24 -54.37 41.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.7 p -60.05 -32.08 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.081 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.445 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 1.4 ttp180 -72.32 -44.31 62.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -56.45 -29.91 62.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.486 HD21 ' CE ' ' A' ' 50' ' ' MET . 12.0 mt -65.48 -39.69 92.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.46 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . 5.1 mt -65.73 -34.71 78.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.4 mt -86.74 -14.06 43.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.0 m -116.98 80.89 11.74 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.618 0.723 . . . . 0.0 110.832 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -5.41 16.15 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.652 2.235 . . . . 0.0 112.337 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -83.47 -28.09 29.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.85 -40.65 7.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.465 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . 9.6 t30 -73.69 131.28 41.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.8 t -116.48 85.41 2.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 48.79 44.81 31.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.47 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 51.4 mt -98.42 -25.91 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.358 . . . . 0.0 111.135 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.628 HD23 ' HA ' ' A' ' 41' ' ' VAL . 6.9 mt -140.53 168.41 19.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -140.79 147.04 38.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.46 ' NE1' ' HB3' ' A' ' 19' ' ' LEU . 12.2 m95 -93.38 98.08 10.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -79.64 -28.83 40.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -163.42 102.9 0.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -39.04 83.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -60.0 -51.12 71.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -78.34 -32.37 49.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.93 26.4 11.6 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.461 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.2 mt -88.35 141.86 13.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.851 0.358 . . . . 0.0 111.103 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.492 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 37.9 p90 -146.16 151.0 36.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -111.95 142.33 44.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.628 ' HA ' HD23 ' A' ' 29' ' ' LEU . 88.2 t -88.14 84.22 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.9 t -52.69 -53.09 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 37.1 mttm -111.93 95.27 5.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.579 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 77.8 p -68.04 -30.48 69.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -73.7 -47.55 38.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.13 -39.1 92.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.5 tp -54.23 -54.35 41.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.16 -49.55 71.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -49.3 -48.3 46.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.486 ' CE ' HD21 ' A' ' 18' ' ' LEU . 4.6 mmm -66.52 -50.71 62.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.642 ' CD1' HD12 ' A' ' 65' ' ' LEU . 21.0 t-105 -48.8 -57.6 6.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.01 -48.93 14.15 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -48.79 -31.87 7.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 110.945 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.426 ' HG3' ' CD2' ' A' ' 14' ' ' PHE . 5.4 mmm180 -74.21 -35.7 63.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.99 8.33 43.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 45.53 32.0 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 52.3 t-20 -75.57 -49.0 19.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 8.0 t0 83.72 -32.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 -103.22 30.39 4.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.434 ' CE ' ' CD1' ' A' ' 51' ' ' TRP . 53.3 tpp -81.25 140.79 34.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 62' ' ' TYR . 11.2 t -159.7 139.61 11.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.579 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 3.3 t80 -35.27 -41.56 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -51.98 -49.33 63.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 61' ' ' THR . 50.1 mttm -80.42 -42.63 22.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.642 HD12 ' CD1' ' A' ' 51' ' ' TRP . 1.5 tt -51.54 -48.0 63.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.3 p -45.38 -38.84 6.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.2 ptt-85 -42.98 -40.87 3.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.98 -34.24 57.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.093 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.1 mt -63.42 -43.38 97.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.573 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -81.87 -17.11 48.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.84 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -81.76 -21.93 37.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.46 ' CB ' ' HB2' ' A' ' 78' ' ' LEU . 10.9 m-85 -73.21 -26.54 61.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.573 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 21.6 m-85 -57.82 -23.86 54.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -78.28 -43.9 26.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.961 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.2 p -82.2 -8.03 59.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.43 -11.14 61.96 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.465 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.4 mm -47.06 -42.85 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 111.168 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.46 ' HB2' ' CB ' ' A' ' 72' ' ' TYR . 1.2 mp -110.31 -177.45 3.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.967 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -127.01 128.71 46.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -68.21 110.78 4.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 41.9 t -113.61 141.81 28.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.33 45.5 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.63 -172.73 2.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.0 112.02 24.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.3 mp 60.07 34.99 21.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 44.8 t -125.33 108.16 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -112.93 168.82 9.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 79' ' ' GLU . 8.8 tttt -151.95 129.56 11.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.492 ' CE2' ' CE1' ' A' ' 39' ' ' PHE . 93.6 m-85 -69.2 125.53 26.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -71.15 -150.52 0.75 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.45 -15.42 22.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -71.14 -27.18 63.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.16 136.38 38.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.074 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 29.1 p80 -131.26 128.22 39.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 142.34 -32.43 1.97 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.428 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.437 ' CG ' ' N ' ' A' ' 97' ' ' GLN . 66.1 p-90 -89.57 -51.27 5.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.762 0.315 . . . . 0.0 110.889 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.437 ' N ' ' CG ' ' A' ' 96' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -141.14 136.01 31.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.865 0.364 . . . . 0.0 110.856 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.4 p -142.44 -54.63 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.813 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.51 52.55 0.22 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.455 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.41 120.74 42.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.906 0.384 . . . . 0.0 110.872 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 t -94.61 -49.9 5.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.861 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.88 -41.42 2.13 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.405 ' O ' ' CD2' ' A' ' 10' ' ' HIS . 5.7 m -116.47 107.95 15.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.896 0.379 . . . . 0.0 110.848 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.417 ' C ' ' CG ' ' A' ' 10' ' ' HIS . 26.7 m -75.27 161.74 29.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.417 ' CG ' ' C ' ' A' ' 9' ' ' SER . 48.1 m-70 -157.48 136.2 11.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.559 HD11 HD11 ' A' ' 65' ' ' LEU . 15.0 tp -57.43 -59.81 4.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.436 ' CZ3' ' HB1' ' A' ' 93' ' ' ALA . 15.6 p-90 -40.77 -33.11 0.26 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -44.52 33.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.529 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 0.9 OUTLIER -61.83 -54.3 44.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.445 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 7.4 p -59.0 -34.9 54.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.546 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 5.7 ttp180 -71.54 -47.12 57.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -53.29 -37.42 62.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.529 HD11 ' CZ ' ' A' ' 14' ' ' PHE . 12.3 mt -58.76 -35.0 72.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.471 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . 26.6 mt -69.7 -30.63 68.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.2 mt -96.58 -2.75 44.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 m -126.13 81.47 66.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.682 0.753 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -9.87 27.19 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.637 2.225 . . . . 0.0 112.382 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.38 -27.8 38.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.07 -40.33 7.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.431 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . 14.0 t30 -76.92 129.31 36.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.3 85.43 2.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 48.91 47.95 31.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.5 mt -103.03 -29.61 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 111.136 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.564 HD23 ' HA ' ' A' ' 41' ' ' VAL . 6.4 mt -136.02 170.35 16.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.401 ' HG3' HG21 ' A' ' 42' ' ' VAL . 10.3 mt-10 -142.7 144.88 32.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.471 ' NE1' ' HB3' ' A' ' 19' ' ' LEU . 6.3 m95 -88.83 98.52 11.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -78.04 -30.49 49.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -158.36 110.69 2.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -39.31 66.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -66.68 -52.63 42.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.444 ' O ' ' CH2' ' A' ' 96' ' ' TRP . 7.4 mt-30 -74.69 -34.21 62.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.76 23.19 18.94 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.461 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.6 mt -84.32 134.97 25.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.853 0.358 . . . . 0.0 111.107 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.434 ' CZ ' ' HB2' ' A' ' 87' ' ' TYR . 11.9 p90 -137.3 156.38 48.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.473 ' HG2' ' N ' ' A' ' 41' ' ' VAL . 12.2 ttt180 -115.9 151.02 36.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.564 ' HA ' HD23 ' A' ' 29' ' ' LEU . 48.6 t -101.44 79.55 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.401 HG21 ' HG3' ' A' ' 30' ' ' GLU . 63.3 t -50.93 -46.04 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -114.51 89.63 3.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 86.3 p -66.84 -22.02 66.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -80.76 -48.5 12.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.08 -32.24 73.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.9 tp -57.14 -53.6 56.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.72 -51.11 53.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.23 -46.44 12.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.41 ' CE ' HD21 ' A' ' 18' ' ' LEU . 1.7 mmm -69.47 -41.56 76.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.687 ' CD1' HD12 ' A' ' 65' ' ' LEU . 21.5 t-105 -55.97 -55.07 37.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 56' ' ' LYS . . . -46.65 -50.56 14.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.499 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.37 -34.35 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.931 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -72.57 -34.01 67.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -101.97 7.44 41.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 52' ' ' GLY . 1.8 mttm 58.04 30.82 19.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -100.07 82.62 2.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.88 -24.45 6.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.6 mtt85 -96.87 29.33 3.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.432 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 48.0 tpp -85.17 133.15 34.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.566 HG22 ' HD3' ' A' ' 64' ' ' LYS . 11.1 t -152.78 154.12 34.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -39.53 -57.29 1.48 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -40.26 -41.74 1.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.566 ' HD3' HG22 ' A' ' 61' ' ' THR . 8.6 mtpp -80.08 -53.12 7.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.687 HD12 ' CD1' ' A' ' 51' ' ' TRP . 3.0 tt -45.42 -51.33 11.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 69' ' ' LEU . 9.4 p -44.02 -40.5 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.6 ptt-85 -40.07 -38.01 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.426 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -84.91 -28.57 25.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.544 HD21 HD21 ' A' ' 11' ' ' LEU . 87.8 mt -68.82 -31.89 71.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.487 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 3.0 mmt180 -90.16 -20.4 23.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -84.72 -15.79 43.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.426 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 5.8 m-85 -76.35 -23.39 54.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.487 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 22.9 m-85 -62.24 -24.55 67.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -74.2 -39.57 63.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.3 p -88.06 -22.17 24.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 102.69 -16.81 54.33 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.417 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 7.5 mm -41.87 -41.83 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.7 mt -116.67 167.74 10.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -126.07 121.14 32.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -61.03 134.11 56.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 49.7 t -122.89 152.02 27.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.31 33.88 1.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -120.8 -179.32 3.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.6 126.13 48.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.9 mp 52.18 34.61 14.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.9 t -125.58 115.0 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 4.8 m-85 -117.64 168.54 10.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -151.15 130.95 13.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.546 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 90.2 m-85 -69.33 129.06 38.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -72.06 -151.2 1.15 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -94.2 -23.98 17.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.805 0.336 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -62.54 -34.53 77.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.436 ' HB1' ' CZ3' ' A' ' 12' ' ' TRP . . . -74.31 158.25 34.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.112 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -137.17 173.2 11.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.71 -48.15 2.3 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.522 ' CZ2' ' HG3' ' A' ' 97' ' ' GLN . 23.4 p-90 -76.52 -40.0 51.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.752 0.31 . . . . 0.0 110.946 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.522 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 1.8 mt-30 -52.83 158.27 1.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -134.52 162.57 31.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 53.72 170.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.56 96.29 6.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 29.4 mt -119.01 113.92 21.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.39 -60.33 1.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 130.11 171.28 12.89 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -17.81 37.33 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.642 2.228 . . . . 0.0 112.376 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 55.2 p -102.95 146.7 27.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 107' ' ' GLY . 1.5 t -158.94 119.0 3.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.842 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 106' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.41 141.39 24.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 0.0 110.872 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.19 167.88 19.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.11 -60.55 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.514 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.9 -56.36 5.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.94 0.4 . . . . 0.0 110.881 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 53.11 92.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.903 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.54 -158.93 32.1 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 63.5 p -147.51 149.44 32.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.37 . . . . 0.0 110.837 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 48.92 93.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -110.35 148.04 32.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.822 HD13 ' C ' ' A' ' 11' ' ' LEU . 1.7 tm? -49.82 -54.86 16.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.572 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 35.1 p-90 -56.06 -36.21 67.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.572 ' HG2' ' CH2' ' A' ' 12' ' ' TRP . 0.7 OUTLIER -72.95 -34.57 66.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.532 ' CE1' ' HB2' ' A' ' 51' ' ' TRP . 0.9 OUTLIER -64.44 -48.3 75.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.915 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.439 ' HA ' HD12 ' A' ' 18' ' ' LEU . 3.0 p -72.24 -19.19 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -82.92 -52.0 7.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -51.16 -38.78 54.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.488 HD21 ' CE ' ' A' ' 50' ' ' MET . 18.0 mt -52.2 -42.76 63.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.469 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . 7.9 mt -62.73 -33.82 75.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.953 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mt -90.74 -14.76 31.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.0 m -114.73 80.61 6.57 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.677 0.751 . . . . 0.0 110.834 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -11.19 30.32 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.351 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.88 -25.97 43.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.47 -42.39 5.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.469 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . 11.4 t30 -70.25 130.72 42.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.45 85.42 2.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.49 45.05 22.74 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 33.6 mt -98.78 -30.56 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.927 0.394 . . . . 0.0 111.148 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.404 HD21 HD13 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -138.02 171.08 14.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 179.889 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.417 ' CG ' ' HB3' ' A' ' 40' ' ' ARG . 5.3 pt-20 -146.81 154.42 41.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.548 ' NE1' ' NH1' ' A' ' 34' ' ' ARG . 14.4 m95 -97.97 103.59 15.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -85.62 -25.93 26.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.97 96.29 0.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.548 ' NH1' ' NE1' ' A' ' 31' ' ' TRP . 1.7 tpt180 -66.1 -36.28 82.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -58.25 -47.35 83.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -85.08 -27.74 26.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.506 ' HA3' ' CH2' ' A' ' 96' ' ' TRP . . . 92.76 27.32 14.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.519 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.9 mt -90.88 142.18 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 111.155 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.559 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 34.9 p90 -148.16 150.07 33.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.417 ' HB3' ' CG ' ' A' ' 30' ' ' GLU . 35.7 ttt180 -111.39 147.49 35.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.0 t -94.14 82.97 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.0 t -51.17 -47.89 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.122 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -114.32 106.94 14.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.446 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 42.9 p -81.45 -27.89 34.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -80.53 -32.11 36.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.92 -34.81 44.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.118 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.404 HD13 HD21 ' A' ' 29' ' ' LEU . 23.6 tp -62.92 -49.47 74.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.16 -41.89 76.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -56.65 -52.09 66.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.488 ' CE ' HD21 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -63.97 -45.55 88.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.878 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.648 ' NE1' HD23 ' A' ' 11' ' ' LEU . 22.8 t-105 -56.7 -54.91 40.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.482 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -45.38 -41.44 8.77 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -60.04 -30.87 69.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.338 . . . . 0.0 110.883 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -70.17 -35.87 74.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.02 -3.47 57.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.32 30.16 11.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -100.79 142.14 32.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.69 20.3 18.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.439 ' O ' ' NZ ' ' A' ' 64' ' ' LYS . 9.5 mtt85 -137.29 30.79 2.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.482 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 41.7 tpp -81.52 139.74 34.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.459 HG22 ' CD ' ' A' ' 64' ' ' LYS . 4.9 t -166.83 140.02 3.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.446 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 4.1 t80 -35.81 -46.36 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -48.12 -46.36 34.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.459 ' CD ' HG22 ' A' ' 61' ' ' THR . 9.4 mttt -82.95 -45.85 13.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.518 HD12 ' CD1' ' A' ' 51' ' ' TRP . 6.4 tt -48.59 -44.08 36.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.0 p -51.34 -33.94 31.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.442 ' CG ' ' N ' ' A' ' 68' ' ' ALA . 1.0 OUTLIER -42.52 -44.62 4.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.834 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.577 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -72.2 -34.08 68.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.77 ' HA ' HD12 ' A' ' 78' ' ' LEU . 61.1 mt -67.13 -41.18 86.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.541 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 5.6 mmm180 -83.11 -17.58 42.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.455 ' O ' ' CD1' ' A' ' 71' ' ' TYR . 19.2 t80 -88.65 -17.8 29.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.577 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 9.1 m-85 -78.6 -14.97 59.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.947 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.541 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 23.0 m-85 -70.17 -2.63 13.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -98.5 -36.4 9.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.0 p -90.07 -19.54 24.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.132 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 102.7 -15.18 55.96 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.536 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.441 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 3.6 mm -46.14 -43.79 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.871 0.367 . . . . 0.0 111.113 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.77 HD12 ' HA ' ' A' ' 69' ' ' LEU . 8.4 mt -116.69 162.87 16.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.46 124.49 44.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -60.29 134.36 56.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 92.6 t -128.23 147.32 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.17 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -96.34 41.42 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.47 177.46 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.416 ' O ' HG23 ' A' ' 86' ' ' VAL . 22.8 tpt180 -100.49 116.13 31.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.6 mp 59.76 32.62 21.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 84' ' ' ARG . 89.5 t -125.08 106.19 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.452 ' CE2' HD13 ' A' ' 69' ' ' LEU . 13.6 m-85 -109.0 171.44 7.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -151.76 128.08 10.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.559 ' CE2' ' CE1' ' A' ' 39' ' ' PHE . 83.3 m-85 -68.61 133.5 48.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.6 -154.4 6.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.512 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.82 -21.17 22.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.33 . . . . 0.0 110.922 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.03 -34.13 77.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.95 158.22 36.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.83 172.27 12.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 95.26 -53.11 1.83 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.506 ' CH2' ' HA3' ' A' ' 37' ' ' GLY . 34.5 p-90 -72.81 -39.88 66.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.678 0.275 . . . . 0.0 110.911 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.474 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 3.5 mt-30 -56.5 147.71 21.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -145.97 83.32 1.63 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -177.7 126.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 39.7 tttt 55.27 53.08 10.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.9 mt -94.53 -45.55 7.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.72 100.25 5.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 167.11 150.89 6.63 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.447 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 105' ' ' SER . 53.7 Cg_endo -69.72 -1.56 8.66 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.742 2.295 . . . . 0.0 112.34 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 104' ' ' PRO . 98.3 p -34.95 119.89 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 55.3 p -131.59 145.68 51.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.473 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 t -74.52 81.08 1.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.895 0.378 . . . . 0.0 110.866 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.2 t -176.48 -52.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.845 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.66 63.64 5.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.506 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.28 143.62 26.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.882 0.373 . . . . 0.0 110.878 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.66 -54.03 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.838 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.49 -133.29 4.11 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 44.03 37.94 2.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 0.0 110.82 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.8 p -94.24 174.36 7.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -136.26 123.21 21.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.831 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.507 HD11 HD11 ' A' ' 65' ' ' LEU . 21.2 tp -54.81 -55.87 25.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.538 ' CZ3' ' HB1' ' A' ' 93' ' ' ALA . 20.6 p-90 -40.83 -41.44 1.58 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.509 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.3 OUTLIER -66.91 -43.13 84.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.883 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.456 ' CD1' ' N ' ' A' ' 15' ' ' VAL . 1.6 t80 -60.75 -58.39 8.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.485 ' HA ' HD12 ' A' ' 18' ' ' LEU . 3.1 p -57.19 -26.51 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.09 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.409 ' NH2' ' OD2' ' A' ' 17' ' ' ASP . 7.9 ttp180 -77.3 -53.16 8.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.409 ' OD2' ' NH2' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -49.01 -29.55 5.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 15' ' ' VAL . 9.1 mt -64.68 -45.73 85.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.41 HD22 ' CE2' ' A' ' 31' ' ' TRP . 6.6 mt -59.21 -36.85 76.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mt -84.39 -11.76 55.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 m -118.96 80.58 18.41 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.682 0.753 . . . . 0.0 110.835 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -5.34 15.97 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.702 2.268 . . . . 0.0 112.321 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -85.08 -26.54 26.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.08 -41.3 6.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 26' ' ' CYS . 6.4 t30 -72.79 132.89 44.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.442 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.5 OUTLIER -116.21 86.01 2.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.7 32.6 8.34 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.439 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.6 mt -84.02 -31.97 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.361 . . . . 0.0 111.121 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 mt -134.61 170.9 15.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -141.43 147.45 37.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.41 ' CE2' HD22 ' A' ' 19' ' ' LEU . 9.1 m95 -92.2 92.76 8.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -71.97 -33.31 68.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -160.91 110.79 1.7 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.5 mmm-85 -71.02 -42.41 69.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -60.38 -52.39 65.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -75.8 -34.67 60.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.451 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 95.36 26.65 11.79 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.4 mt -87.05 137.72 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 111.135 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.412 ' CZ ' ' HB2' ' A' ' 87' ' ' TYR . 37.2 p90 -137.92 153.12 49.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.8 ttt85 -114.1 145.08 42.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.9 t -90.13 82.69 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.2 t -54.02 -48.92 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -117.12 94.09 4.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.414 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 51.8 p -68.2 -14.42 62.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -87.64 -46.72 9.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.87 -37.05 81.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 35.9 tp -55.72 -49.59 72.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.39 -50.84 23.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -48.03 -47.29 33.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.1 mmm -66.85 -48.77 67.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.47 ' CD1' HD12 ' A' ' 65' ' ' LEU . 20.9 t-105 -50.43 -55.24 16.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.16 -47.49 33.46 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.478 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -48.65 -36.2 15.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.772 0.32 . . . . 0.0 110.866 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -69.18 -36.42 77.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.91 -2.73 58.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.56 32.84 15.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.869 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.484 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 43.2 t-20 -79.81 -48.37 13.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.932 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 3.4 t0 83.46 -22.42 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.6 mmt85 -108.37 28.99 7.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 50.7 tpp -81.29 139.14 35.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 64' ' ' LYS . 9.9 t -157.14 137.81 13.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.196 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 61' ' ' THR . 4.1 t80 -35.4 -41.87 0.19 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.08 -47.3 68.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 61' ' ' THR . 30.3 mttm -79.7 -43.21 23.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.507 HD11 HD11 ' A' ' 11' ' ' LEU . 6.6 tt -52.93 -49.33 66.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.9 p -44.89 -35.89 3.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.407 ' CG ' ' N ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -44.69 -42.55 7.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.407 ' N ' ' CG ' ' A' ' 67' ' ' ARG . . . -75.96 -35.98 59.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.6 mt -61.51 -41.67 97.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.555 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -81.62 -18.97 42.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.848 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -88.41 -14.48 37.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.435 ' CD1' ' HB ' ' A' ' 77' ' ' ILE . 4.3 m-85 -77.28 -21.97 52.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.555 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 24.4 m-85 -62.34 -20.22 64.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.89 -43.6 24.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.855 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 37.4 p -82.16 -15.75 52.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.131 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 95.84 -13.78 65.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.435 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 8.4 mm -45.21 -45.48 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.852 0.358 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 78' ' ' LEU . 12.7 mt -116.64 161.81 18.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.405 ' O ' HG23 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -116.88 122.39 44.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.45 ' HD2' ' CD2' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -58.78 118.44 5.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 79' ' ' GLU . 42.0 t -110.84 144.22 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.54 37.8 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -115.54 -170.3 1.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.621 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -100.79 117.8 35.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.3 mm? 45.51 42.35 7.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 84' ' ' ARG . 49.6 t -129.32 113.39 27.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.412 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 7.6 m-85 -112.97 168.4 9.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -147.21 132.89 18.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.909 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -71.26 129.94 40.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -75.27 -152.73 3.51 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.447 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.2 -16.39 24.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.797 0.332 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -69.89 -25.79 63.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.538 ' HB1' ' CZ3' ' A' ' 12' ' ' TRP . . . -84.76 135.04 34.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 20.1 p80 -122.74 143.02 50.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 124.79 -39.79 2.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.498 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.469 ' CZ2' ' HG3' ' A' ' 97' ' ' GLN . 42.3 p-90 -82.71 -43.15 17.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.665 0.269 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.469 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 1.2 mt-30 -47.84 163.85 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 97' ' ' GLN . 1.5 tm-20 -35.5 137.48 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -154.3 175.78 13.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.32 117.76 4.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 102' ' ' SER . 8.0 tp -164.71 115.69 1.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 101' ' ' LEU . 0.5 OUTLIER -35.15 -49.54 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 155.17 146.25 4.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.5 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 176.82 6.26 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.37 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 55.1 p -72.87 -40.6 65.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.824 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 t -171.06 -46.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.458 179.942 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.58 110.53 0.37 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.895 0.379 . . . . 0.0 110.853 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 m -57.55 173.76 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.834 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.08 115.45 2.97 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.455 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.37 91.68 7.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.362 . . . . 0.0 110.831 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -168.7 43.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.66 56.59 17.32 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.9 m -109.22 115.5 30.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 110.86 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 m -163.8 85.4 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -111.12 134.55 52.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.507 HD23 ' CD2' ' A' ' 51' ' ' TRP . 1.1 tm? -38.56 -62.25 0.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.548 ' HB3' ' CE2' ' A' ' 72' ' ' TYR . 13.9 p-90 -45.45 -38.14 5.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.534 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.5 OUTLIER -73.45 -39.9 64.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.434 ' CD1' ' N ' ' A' ' 15' ' ' VAL . 1.8 t80 -56.67 -57.35 12.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.434 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 2.7 p -60.93 -42.33 92.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.431 ' HE ' ' N ' ' A' ' 17' ' ' ASP . 0.3 OUTLIER -60.33 -43.23 96.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 21' ' ' SER . 14.0 t70 -52.87 -51.15 62.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.414 ' CB ' ' HB2' ' A' ' 25' ' ' ASN . 7.8 mp -44.22 -45.12 8.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.527 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 68.3 mt -60.23 -39.94 88.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.9 mt -91.48 -5.77 53.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.947 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 17' ' ' ASP . 3.6 m -123.29 82.42 52.26 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.678 0.751 . . . . 0.0 110.855 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -9.89 27.21 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.279 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -79.78 -26.95 40.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.842 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.32 -46.11 4.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.414 ' HB2' ' CB ' ' A' ' 18' ' ' LEU . 45.0 t30 -64.29 121.07 13.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -115.59 86.55 2.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.03 36.06 19.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 29.6 mt -93.28 -28.88 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 111.138 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.466 HD23 ' HA ' ' A' ' 41' ' ' VAL . 2.5 mt -135.98 177.08 8.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.454 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 4.2 mt-10 -148.63 148.41 30.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.527 ' CZ2' HD13 ' A' ' 19' ' ' LEU . 10.8 m95 -95.18 95.83 8.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -73.58 -36.83 65.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.27 96.64 0.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -58.86 -44.12 90.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.43 -50.17 68.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -79.55 -23.0 43.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.574 ' HA3' ' CH2' ' A' ' 96' ' ' TRP . . . 85.12 28.33 31.25 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.464 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 36.3 mt -92.26 134.95 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.855 0.359 . . . . 0.0 111.173 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.402 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 33.1 p90 -137.26 150.39 47.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.464 ' HG2' ' N ' ' A' ' 41' ' ' VAL . 35.0 ttt180 -112.17 147.8 35.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.466 ' HA ' HD23 ' A' ' 29' ' ' LEU . 70.3 t -94.45 81.93 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.454 ' CG2' ' HG3' ' A' ' 30' ' ' GLU . 97.9 t -49.07 -49.31 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.5 mttm -116.62 107.78 15.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 83.0 p -77.41 -24.44 50.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -80.96 -46.81 14.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.32 -39.87 92.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 30.0 tp -55.99 -53.72 53.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.491 ' HA ' HD13 ' A' ' 65' ' ' LEU . . . -65.54 -44.16 87.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.068 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -47.0 75.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -37.23 80.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.507 ' CD2' HD23 ' A' ' 11' ' ' LEU . 24.2 t-105 -63.94 -49.26 73.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.483 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -51.13 -45.81 51.38 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -51.63 -33.53 33.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.84 0.352 . . . . 0.0 110.94 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -72.01 -35.82 69.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.61 10.13 41.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 54.49 29.11 10.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -97.56 84.49 3.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.33 -18.34 2.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.8 mmt180 -102.63 31.05 4.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.483 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 38.2 tpp -81.45 132.42 35.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.6 t -150.11 146.04 26.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.135 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -40.25 -42.69 1.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -50.69 -43.05 57.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -83.84 -43.48 15.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.491 HD13 ' HA ' ' A' ' 48' ' ' ALA . 8.6 tt -53.41 -35.59 60.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.2 p -59.39 -36.44 75.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.45 ' CG ' ' N ' ' A' ' 68' ' ' ALA . 1.3 ptt180 -43.1 -45.21 5.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.45 ' N ' ' CG ' ' A' ' 67' ' ' ARG . . . -72.27 -34.23 68.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.73 -37.34 87.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -87.06 -19.08 29.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -84.15 -16.19 44.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.548 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 6.8 m-85 -77.5 -21.89 52.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.944 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.487 ' CE1' ' N ' ' A' ' 80' ' ' ARG . 24.0 m-85 -64.86 -16.91 63.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -80.11 -40.05 28.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.2 p -87.71 -25.42 23.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.17 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.404 ' C ' ' HB2' ' A' ' 92' ' ' ASN . . . 109.9 -18.4 29.02 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.439 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 12.8 mm -39.7 -47.37 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.819 0.342 . . . . 0.0 111.119 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 78' ' ' LEU . 10.3 mt -112.07 169.43 8.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -130.72 113.39 14.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.487 ' N ' ' CE1' ' A' ' 73' ' ' TYR . 13.9 ttt180 -50.43 128.67 20.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 82' ' ' ASP . 59.9 t -115.67 152.49 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.406 ' N ' HG12 ' A' ' 81' ' ' VAL . 0.5 OUTLIER -92.72 34.24 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.403 ' HD3' ' CG1' ' A' ' 81' ' ' VAL . 1.1 mpt_? -129.17 167.59 17.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.416 ' O ' HG23 ' A' ' 86' ' ' VAL . 73.6 ttt180 -92.53 136.22 33.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.8 mp 48.7 27.63 1.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 84' ' ' ARG . 29.9 t -124.26 104.83 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -109.86 169.31 8.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -149.71 138.8 21.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.402 ' CE2' ' CE1' ' A' ' 39' ' ' PHE . 96.5 m-85 -78.4 133.11 37.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -81.69 -148.79 6.72 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.478 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.78 -24.92 18.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.79 0.329 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.404 ' HB2' ' C ' ' A' ' 76' ' ' GLY . 1.3 m120 -61.52 -29.14 69.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -82.97 160.15 22.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.082 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 24.2 p80 -147.75 170.31 17.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 101.08 -44.55 1.54 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.574 ' CH2' ' HA3' ' A' ' 37' ' ' GLY . 48.3 p-90 -80.88 -41.5 23.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.722 0.296 . . . . 0.0 110.932 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.426 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 0.8 OUTLIER -52.53 154.4 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -119.11 160.18 22.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -59.96 161.28 6.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.71 176.58 6.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.14 104.36 13.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.6 p -114.7 -61.58 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.44 -169.61 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.514 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -178.08 2.16 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.47 -56.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.843 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 67.0 p 40.74 42.18 1.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.466 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.1 p -173.61 143.09 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 0.0 110.857 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.82 175.33 9.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.39 -127.96 7.28 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.467 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t 58.58 40.55 23.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.842 0.353 . . . . 0.0 110.85 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.15 144.28 46.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.819 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.61 -98.03 1.22 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.518 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.4 108.46 11.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.866 0.365 . . . . 0.0 110.85 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.9 t -90.51 168.85 11.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.6 m-70 -129.41 127.06 40.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.8 tp -57.07 -55.32 36.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.569 ' CZ2' ' HG3' ' A' ' 13' ' ' GLU . 15.1 p-90 -40.51 -39.34 1.0 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.569 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.4 OUTLIER -72.83 -41.77 64.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.422 ' CD2' ' N ' ' A' ' 15' ' ' VAL . 2.1 t80 -57.78 -58.86 6.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.422 ' N ' ' CD2' ' A' ' 14' ' ' PHE . 4.8 p -57.77 -42.31 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.559 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 4.3 ttp180 -63.45 -40.26 96.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -59.43 -34.22 72.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.495 HD21 ' CE ' ' A' ' 50' ' ' MET . 11.2 mt -60.97 -42.05 97.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.458 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . 9.0 mt -61.77 -40.59 95.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -81.27 -10.73 59.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.7 m -120.55 80.64 30.99 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.611 0.72 . . . . 0.0 110.834 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -6.78 19.4 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.252 . . . . 0.0 112.33 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -82.79 -28.32 30.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.92 -39.58 8.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.494 ' HB2' HD22 ' A' ' 18' ' ' LEU . 7.4 t30 -74.7 132.28 41.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.422 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.5 OUTLIER -116.48 85.02 2.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 48.9 36.11 19.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.485 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.4 mt -87.78 -31.12 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.854 0.359 . . . . 0.0 111.145 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.669 HD23 ' HA ' ' A' ' 41' ' ' VAL . 4.4 mt -139.29 171.26 14.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.455 ' CG ' ' HB3' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -145.39 149.54 34.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.458 ' NE1' ' HB3' ' A' ' 19' ' ' LEU . 31.6 m95 -89.2 97.33 11.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.976 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -73.3 -28.34 62.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.71 105.06 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -39.28 85.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.416 ' N ' ' OE1' ' A' ' 35' ' ' GLU . 1.4 mp0 -59.82 -54.3 47.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -76.5 -30.37 57.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.505 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 93.14 28.32 12.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.464 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.8 mt -91.58 142.71 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.359 . . . . 0.0 111.138 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.754 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 53.0 p90 -146.96 154.06 40.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.455 ' HB3' ' CG ' ' A' ' 30' ' ' GLU . 45.9 ttt180 -117.17 149.31 40.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.669 ' HA ' HD23 ' A' ' 29' ' ' LEU . 60.8 t -95.7 87.21 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.4 t -54.05 -44.78 63.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -118.44 93.56 4.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.1 p -68.55 -25.11 64.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -79.11 -38.63 35.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.28 -36.39 61.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 23.0 tp -56.54 -51.0 70.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.34 -49.91 51.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -47.88 -46.58 31.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.495 ' CE ' HD21 ' A' ' 18' ' ' LEU . 2.5 mmm -67.86 -45.67 73.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.61 ' CD1' HD12 ' A' ' 65' ' ' LEU . 20.6 t-105 -52.38 -56.0 17.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.63 -39.86 39.06 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.533 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -54.5 -35.58 63.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.32 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -70.8 -35.18 72.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.828 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -94.62 4.87 53.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.8 mttt 44.4 49.22 8.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.484 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 45.1 t-20 -93.65 -46.95 7.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER 83.59 -34.06 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.1 mpp_? -96.94 22.7 8.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 54.6 tpp -75.83 144.92 41.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 64' ' ' LYS . 9.9 t -165.86 141.41 4.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.162 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 61' ' ' THR . 2.4 t80 -37.41 -42.49 0.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -51.67 -46.46 63.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 61' ' ' THR . 22.3 mttm -82.16 -44.07 16.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.61 HD12 ' CD1' ' A' ' 51' ' ' TRP . 2.6 tt -51.45 -47.6 63.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.4 p -43.71 -37.01 2.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.6 ptt-85 -42.86 -41.11 3.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.31 -34.85 55.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.143 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.6 mt -62.87 -33.45 75.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.477 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -89.7 -24.08 21.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -80.78 -13.89 58.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.438 ' CD1' ' HB ' ' A' ' 77' ' ' ILE . 5.9 m-85 -76.58 -27.36 55.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.477 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 24.1 m-85 -61.07 -18.53 58.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -78.66 -32.11 47.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.448 ' O ' ' CG ' ' A' ' 92' ' ' ASN . 43.0 p -101.2 -6.93 23.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.35 -17.86 51.9 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.516 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.438 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 5.5 mm -38.45 -45.49 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.835 0.35 . . . . 0.0 111.161 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.9 mt -114.35 162.59 16.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 81' ' ' VAL . 0.4 OUTLIER -117.02 117.68 30.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -47.19 126.41 9.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.567 HG11 ' O ' ' A' ' 86' ' ' VAL . 22.0 t -118.91 141.2 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -103.0 32.72 3.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.502 ' H ' HG12 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -118.68 -172.75 2.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.44 ' O ' HG23 ' A' ' 86' ' ' VAL . 13.6 tpt180 -102.21 118.84 37.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.0 mp 54.08 28.1 8.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.567 ' O ' HG11 ' A' ' 81' ' ' VAL . 55.6 t -115.8 107.6 23.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.538 ' HA ' HG21 ' A' ' 81' ' ' VAL . 45.1 m-85 -113.35 169.44 8.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.3 tttm -151.79 135.14 16.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.754 ' CE2' ' CE1' ' A' ' 39' ' ' PHE . 97.6 m-85 -75.66 130.76 39.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -76.73 -153.33 5.1 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -88.15 -27.02 22.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.793 0.33 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 75' ' ' THR . 1.1 m-80 -61.19 -32.16 71.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.65 174.78 5.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -163.73 167.18 21.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 102.41 -41.96 2.01 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.503 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.505 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 57.7 p-90 -82.93 -39.66 21.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.737 0.303 . . . . 0.0 110.911 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.42 162.02 2.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -159.39 132.95 7.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.18 164.03 29.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.833 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -101.8 168.23 9.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.8 pp -65.73 126.53 28.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 51.44 80.42 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -67.2 173.55 28.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -31.22 21.04 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.388 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.93 -50.95 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.4 t -83.56 157.62 22.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.466 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 t -110.97 92.39 4.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.868 0.366 . . . . 0.0 110.857 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.8 m -132.39 118.18 19.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.78 51.95 0.73 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.452 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.14 89.64 1.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.876 0.369 . . . . 0.0 110.85 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.8 t -166.47 -49.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.85 37.58 0.31 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.61 102.42 12.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.895 0.378 . . . . 0.0 110.885 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 t -154.88 35.19 0.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.442 ' HB3' ' CD1' ' A' ' 12' ' ' TRP . 25.6 m-70 -143.26 130.75 21.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 14' ' ' PHE . 12.1 tp -62.13 -53.91 48.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.541 ' CE2' ' HG3' ' A' ' 13' ' ' GLU . 33.0 p-90 -42.79 -29.83 0.34 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.541 ' HG3' ' CE2' ' A' ' 12' ' ' TRP . 2.2 mt-10 -83.21 -35.34 25.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.575 ' CE1' ' HB2' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -66.32 -48.27 70.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p -71.73 -36.44 59.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -62.65 -42.71 99.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 21' ' ' SER . 23.8 t70 -54.11 -54.07 44.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.464 ' CD2' HD12 ' A' ' 28' ' ' ILE . 7.8 mp -43.23 -43.65 4.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.443 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . 86.4 mt -61.86 -35.73 79.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.4 mt -97.48 -2.78 41.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.962 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 17' ' ' ASP . 2.6 m -122.57 81.44 47.49 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.669 0.747 . . . . 0.0 110.827 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -3.52 12.2 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.703 2.269 . . . . 0.0 112.314 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -88.32 -27.49 21.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.1 -44.77 5.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -65.36 124.32 21.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.04 86.3 2.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.47 28.57 4.9 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.464 HD12 ' CD2' ' A' ' 18' ' ' LEU . 7.6 mt -84.25 -28.8 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.89 0.376 . . . . 0.0 111.126 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.0 mt -139.08 172.49 12.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.965 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.06 147.56 30.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.443 ' NE1' ' HB3' ' A' ' 19' ' ' LEU . 7.2 m95 -90.87 101.43 14.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -74.29 -38.07 63.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.33 104.54 1.85 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 48.5 mmm-85 -62.59 -24.43 67.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.67 -51.61 10.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.411 ' HB2' HD12 ' A' ' 38' ' ' ILE . 5.4 mt-30 -79.27 -14.87 58.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.18 22.11 76.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.472 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.411 HD12 ' HB2' ' A' ' 36' ' ' GLN . 15.0 mt -84.39 131.65 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 111.102 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.551 ' CZ ' ' HB2' ' A' ' 87' ' ' TYR . 32.5 p90 -130.38 155.93 45.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.402 ' HG2' ' N ' ' A' ' 41' ' ' VAL . 24.4 ttt180 -116.56 154.94 29.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.41 ' CG1' ' HA ' ' A' ' 44' ' ' SER . 94.3 t -102.06 83.73 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.1 t -52.95 -49.17 50.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.106 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -115.35 87.39 2.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.41 ' HA ' ' CG1' ' A' ' 41' ' ' VAL . 44.5 p -63.14 -11.01 17.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -92.21 -47.81 7.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.54 -24.6 62.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.2 tp -65.1 -44.63 88.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.926 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.94 -45.68 26.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.44 -44.33 62.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -68.98 -47.87 64.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.575 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 17.7 t-105 -53.31 -55.2 26.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.453 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -48.54 -42.08 26.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -54.86 -31.62 59.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.768 0.318 . . . . 0.0 110.927 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.5 mmm-85 -78.31 -34.59 48.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.524 ' HG3' ' CZ2' ' A' ' 51' ' ' TRP . 0.5 OUTLIER -95.77 5.96 50.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.63 31.09 19.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.425 ' C ' ' OD1' ' A' ' 57' ' ' ASN . 30.5 t-20 -100.37 82.6 2.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -51.55 -22.15 3.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -99.49 27.99 4.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.453 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 32.8 tpp -78.68 131.59 36.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.4 t -151.28 145.43 25.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -42.46 -35.53 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -57.97 -41.06 82.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -86.57 -40.26 15.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.546 HD12 ' CD1' ' A' ' 51' ' ' TRP . 3.0 tt -57.17 -43.2 82.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 52.5 p -53.73 -29.05 37.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -50.07 -41.61 48.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.87 -36.41 67.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.698 HD13 ' CE2' ' A' ' 87' ' ' TYR . 84.7 mt -60.9 -42.17 97.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.6 mmm-85 -76.99 -20.26 56.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -87.99 -14.55 38.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.457 ' CD1' ' HB ' ' A' ' 77' ' ' ILE . 4.7 m-85 -78.18 -16.0 58.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.518 ' CD2' ' HD2' ' A' ' 80' ' ' ARG . 24.1 m-85 -71.86 -13.33 61.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.929 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -85.27 -35.98 21.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.6 p -91.23 -18.33 24.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.169 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.81 -2.84 60.42 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.457 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 4.6 mm -55.42 -44.17 74.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.865 0.364 . . . . 0.0 111.128 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 69' ' ' LEU . 9.6 mt -114.73 165.21 13.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.412 ' O ' HG23 ' A' ' 81' ' ' VAL . 11.5 mt-10 -124.43 111.89 16.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.518 ' HD2' ' CD2' ' A' ' 73' ' ' TYR . 1.3 ttt180 -48.0 133.35 14.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 79' ' ' GLU . 38.9 t -124.74 141.31 45.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.18 43.32 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.404 ' CG ' HH11 ' A' ' 83' ' ' ARG . 0.3 OUTLIER -135.06 173.47 11.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.494 ' O ' HG23 ' A' ' 86' ' ' VAL . 61.8 ttt180 -103.16 131.29 50.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.405 HD13 ' HG2' ' A' ' 84' ' ' ARG . 4.8 mp 56.44 34.07 23.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 84' ' ' ARG . 85.3 t -136.46 114.96 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.698 ' CE2' HD13 ' A' ' 69' ' ' LEU . 8.4 m-85 -118.82 173.81 6.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.406 ' HE2' ' O ' ' A' ' 36' ' ' GLN . 22.6 tttt -151.84 132.62 14.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -74.88 124.79 27.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.25 -147.57 0.24 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.507 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.5 -25.5 18.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -61.54 -35.07 76.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.34 153.06 44.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -138.33 167.74 21.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.68 -42.16 2.8 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.524 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.535 ' CZ2' ' HG3' ' A' ' 97' ' ' GLN . 35.9 p-90 -75.03 -38.38 61.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.707 0.289 . . . . 0.0 110.956 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.535 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 4.8 mt-30 -56.14 153.12 9.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -163.99 86.75 0.49 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.27 166.67 0.27 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.9 tttt 39.23 72.63 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.65 23.03 13.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.2 t -143.59 113.53 7.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -112.43 83.43 0.33 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 141.67 46.05 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.656 2.237 . . . . 0.0 112.362 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 58.46 -173.52 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.8 t -90.78 -52.39 4.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.28 -46.61 4.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 0.0 110.904 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m -140.81 156.33 46.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 134.7 -151.27 20.33 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 4' ' ' GLY . 0.4 OUTLIER 35.4 86.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.902 0.382 . . . . 0.0 110.861 -179.733 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.85 106.73 15.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.56 112.77 0.91 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.32 113.31 22.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.884 0.373 . . . . 0.0 110.87 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.4 t -117.87 -57.73 2.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -83.11 137.15 34.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.603 HD21 HD21 ' A' ' 69' ' ' LEU . 6.9 tp -64.53 -56.02 16.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.512 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 22.8 p-90 -40.62 -39.68 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.512 ' HG2' ' CH2' ' A' ' 12' ' ' TRP . 0.4 OUTLIER -70.37 -40.66 73.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.7 t80 -63.82 -54.81 29.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.9 p -62.49 -37.17 78.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.49 ' HE ' ' N ' ' A' ' 17' ' ' ASP . 1.0 OUTLIER -64.26 -41.43 96.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.49 ' N ' ' HE ' ' A' ' 16' ' ' ARG . 8.3 t0 -54.93 -51.13 67.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.423 ' HB3' HD12 ' A' ' 29' ' ' LEU . 7.3 mp -45.58 -44.46 12.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.479 HD13 ' CH2' ' A' ' 31' ' ' TRP . 24.9 mt -58.53 -38.48 77.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mt -93.24 -9.77 37.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 17' ' ' ASP . 2.1 m -114.08 81.24 6.09 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.643 0.735 . . . . 0.0 110.825 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -5.43 16.21 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.655 2.237 . . . . 0.0 112.317 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -87.06 -24.6 24.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.39 -45.93 4.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -62.22 120.73 11.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.2 87.34 2.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 48.59 36.36 18.01 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.449 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.0 mt -98.45 -26.66 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 111.115 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.423 HD12 ' HB3' ' A' ' 18' ' ' LEU . 7.2 mt -142.01 168.36 19.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.466 ' CG ' ' HB3' ' A' ' 40' ' ' ARG . 0.6 OUTLIER -146.77 153.97 40.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.479 ' CH2' HD13 ' A' ' 19' ' ' LEU . 8.9 m95 -95.6 114.75 26.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -94.84 -17.16 22.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -172.72 105.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.438 ' HD3' ' CG ' ' A' ' 31' ' ' TRP . 1.2 mmt85 -70.41 -34.01 72.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -63.06 -57.17 11.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.37 -31.13 48.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.0 25.41 14.6 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.486 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.2 mt -80.48 134.68 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.907 0.384 . . . . 0.0 111.135 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.455 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 33.7 p90 -136.58 155.86 49.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.466 ' HB3' ' CG ' ' A' ' 30' ' ' GLU . 27.7 ttt180 -121.46 145.2 48.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.446 ' N ' ' HG2' ' A' ' 40' ' ' ARG . 52.4 t -92.33 90.22 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.0 t -59.57 -48.92 85.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.472 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 43.9 mttm -111.02 90.33 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.479 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 90.6 p -64.57 -33.11 75.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -76.83 -38.14 54.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.472 ' HB3' ' HB3' ' A' ' 43' ' ' LYS . . . -73.36 -37.21 66.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 24.3 tp -56.76 -50.46 72.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.32 -52.23 49.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -45.48 -48.23 13.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.7 mmm -67.21 -44.54 79.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.666 ' CD1' HD12 ' A' ' 65' ' ' LEU . 23.1 t-105 -54.86 -54.48 41.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.36 -42.22 33.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.42 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -52.04 -34.58 43.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.777 0.323 . . . . 0.0 110.916 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.0 -33.8 63.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.24 10.49 39.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.8 mttt 43.69 29.48 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.503 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 52.0 t30 -69.9 -49.85 48.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 5.3 t0 83.73 -33.42 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -106.73 28.8 7.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 47.6 tpp -77.95 137.58 38.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 62' ' ' TYR . 1.4 t -154.39 140.9 18.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.173 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.479 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 6.5 t80 -37.19 -41.98 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.907 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -50.86 -46.24 60.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -83.59 -43.11 16.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.666 HD12 ' CD1' ' A' ' 51' ' ' TRP . 2.7 tt -51.39 -48.73 62.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.967 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.0 m -45.3 -36.58 4.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.446 ' CG ' ' N ' ' A' ' 68' ' ' ALA . 2.1 ptm180 -41.89 -44.8 3.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.832 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.446 ' N ' ' CG ' ' A' ' 67' ' ' ARG . . . -73.5 -34.63 65.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.603 HD21 HD21 ' A' ' 11' ' ' LEU . 51.9 mt -63.18 -38.53 91.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.932 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.577 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 4.2 mmt-85 -84.09 -13.85 51.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -92.22 -16.8 25.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.459 ' HD2' HD12 ' A' ' 78' ' ' LEU . 9.5 m-85 -75.73 -15.91 60.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.919 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.577 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 20.6 m-85 -70.77 -17.22 62.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.942 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -86.93 -29.64 21.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 37.9 p -96.37 -8.13 33.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.42 -17.22 49.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.497 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.0 mm -43.51 -46.94 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.935 0.397 . . . . 0.0 111.155 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.459 HD12 ' HD2' ' A' ' 72' ' ' TYR . 12.5 mt -113.81 169.36 9.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.15 124.65 43.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.505 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -62.41 128.43 35.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.8 t -124.71 140.67 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -85.88 25.86 1.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.448 ' HD3' HG11 ' A' ' 86' ' ' VAL . 2.3 mtp85 -109.85 174.21 5.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -102.33 129.61 48.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.1 mp 54.0 32.44 15.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.963 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.448 HG11 ' HD3' ' A' ' 83' ' ' ARG . 51.5 t -130.88 121.17 49.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.1 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.425 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 6.4 m-85 -125.0 170.62 10.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.5 tttm -148.94 138.54 21.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 99.3 m-85 -79.03 127.92 32.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -74.35 -146.74 1.17 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.542 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.06 -19.16 20.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.777 0.322 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -67.67 -32.15 72.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.57 164.82 26.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -156.76 146.01 20.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 124.29 -40.24 1.97 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.52 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.541 ' CD2' ' N ' ' A' ' 97' ' ' GLN . 62.5 p-90 -81.28 -52.95 6.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.742 0.306 . . . . 0.0 110.944 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.541 ' N ' ' CD2' ' A' ' 96' ' ' TRP . 0.0 OUTLIER -53.9 147.91 11.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.95 167.71 17.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.23 130.27 56.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.46 124.28 25.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.14 166.02 26.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.68 100.06 3.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 171.81 147.01 5.54 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.455 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 155.37 65.93 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.647 2.231 . . . . 0.0 112.35 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 70.5 m -149.9 150.81 32.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.74 105.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.465 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.56 83.92 3.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 0.0 110.847 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.2 p -129.73 100.25 5.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.61 -75.15 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.42 124.3 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.369 . . . . 0.0 110.894 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -161.22 98.53 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.57 -125.74 3.9 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.509 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.0 m 58.8 85.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.852 0.358 . . . . 0.0 110.85 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.99 -48.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 13' ' ' GLU . 13.8 m-70 -97.64 136.97 37.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.513 HD23 ' CD2' ' A' ' 51' ' ' TRP . 1.8 tm? -36.05 -65.03 0.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 72' ' ' TYR . 14.6 p-90 -45.22 -35.94 3.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.509 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.9 OUTLIER -75.4 -36.42 60.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.893 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.499 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 2.9 t80 -63.97 -55.7 20.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.437 ' HA ' HD12 ' A' ' 18' ' ' LEU . 5.4 p -58.9 -38.56 73.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.556 ' HE ' ' N ' ' A' ' 17' ' ' ASP . 2.6 ttp180 -68.59 -54.65 15.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.556 ' N ' ' HE ' ' A' ' 16' ' ' ARG . 14.2 t70 -47.44 -38.48 13.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.499 HD11 ' CZ ' ' A' ' 14' ' ' PHE . 9.9 mt -55.9 -39.41 71.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.483 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 8.3 mt -64.92 -41.59 95.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.2 mt -80.37 -15.71 56.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.0 m -114.98 81.61 7.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 110.824 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -9.78 26.95 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.648 2.232 . . . . 0.0 112.377 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -79.5 -29.38 41.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.02 -38.28 8.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.421 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . 17.6 t30 -77.49 128.3 33.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.32 87.09 2.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.59 43.88 37.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.511 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.6 mt -96.18 -31.38 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 111.122 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 41' ' ' VAL . 4.2 mt -135.18 170.5 15.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.469 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 0.7 OUTLIER -137.96 142.52 40.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.483 ' CE2' ' HB3' ' A' ' 19' ' ' LEU . 8.7 m95 -90.84 92.86 8.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -74.77 -31.19 61.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -162.4 105.53 1.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -41.43 77.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.64 -50.66 71.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -75.67 -35.13 60.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.947 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.445 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 96.73 28.57 8.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.494 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 45.5 mt -91.0 135.28 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.905 0.383 . . . . 0.0 111.133 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -138.09 150.31 46.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -111.45 144.98 39.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.838 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.421 ' HA ' HD23 ' A' ' 29' ' ' LEU . 97.8 t -89.51 81.18 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.469 ' CG2' ' HG3' ' A' ' 30' ' ' GLU . 99.7 t -50.93 -53.91 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.415 ' CB ' ' HB3' ' A' ' 46' ' ' ALA . 31.8 mttm -114.35 92.66 4.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.6 p -64.97 -29.89 70.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -79.09 -39.13 34.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.415 ' HB3' ' CB ' ' A' ' 43' ' ' LYS . . . -70.25 -37.04 74.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.088 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 27.6 tp -60.57 -46.91 88.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.3 -48.33 61.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -50.7 -47.05 59.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.467 ' CE ' HD21 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -69.1 -43.24 74.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.846 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.513 ' CD2' HD23 ' A' ' 11' ' ' LEU . 26.7 t-105 -57.12 -49.22 76.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.48 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -50.04 -49.02 37.62 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -49.85 -35.69 24.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.329 . . . . 0.0 110.909 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -69.91 -34.76 73.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.79 14.41 32.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 52.0 31.86 9.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.443 ' OD1' ' C ' ' A' ' 59' ' ' ARG . 32.1 t-20 -96.9 81.68 3.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -51.09 -22.71 2.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.443 ' C ' ' OD1' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -105.11 40.04 1.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.902 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.48 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 42.0 tpp -87.64 131.39 34.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.3 t -151.54 150.72 30.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.149 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -42.29 -38.31 1.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -54.29 -41.18 68.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -87.67 -41.48 13.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.432 HD12 ' CD1' ' A' ' 51' ' ' TRP . 5.9 tt -54.82 -41.62 70.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.4 p -54.82 -31.44 59.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.14 -38.43 5.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.496 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -79.29 -33.97 42.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.066 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.21 -43.26 99.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.435 ' HA ' ' CD2' ' A' ' 73' ' ' TYR . 2.0 mmt180 -79.79 -24.13 41.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.561 ' O ' ' CD1' ' A' ' 71' ' ' TYR . 26.2 t80 -84.19 -7.82 59.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 12' ' ' TRP . 6.9 m-85 -85.44 -17.36 36.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.573 ' CE1' ' HB3' ' A' ' 78' ' ' LEU . 39.8 m-85 -77.48 -11.17 59.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -77.01 -44.0 32.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.924 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.2 p -88.73 -30.31 19.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.425 ' C ' ' HB2' ' A' ' 92' ' ' ASN . . . 118.88 -3.54 14.61 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.64 HD13 ' HB3' ' A' ' 92' ' ' ASN . 21.5 mm -49.71 -48.73 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 111.122 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.573 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 11.8 mt -111.82 164.21 13.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.469 ' O ' HG23 ' A' ' 81' ' ' VAL . 8.8 mt-10 -120.27 111.61 18.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.402 ' N ' ' CE1' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -45.07 113.33 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 79' ' ' GLU . 45.2 t -103.08 145.04 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -102.89 38.49 1.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.53 -176.9 3.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.808 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -95.66 118.48 32.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.885 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.6 mm? 45.9 41.01 7.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 84' ' ' ARG . 97.4 t -131.04 110.82 18.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -108.27 172.12 7.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -151.93 137.41 17.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 93.9 m-85 -77.68 132.86 38.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.844 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.37 -146.71 3.78 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.445 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.7 pttt -95.43 -25.23 16.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.798 0.332 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.64 ' HB3' HD13 ' A' ' 77' ' ' ILE . 0.9 OUTLIER -59.19 -37.02 76.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.457 ' HB1' ' CZ3' ' A' ' 12' ' ' TRP . . . -71.78 177.5 4.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -162.54 177.68 9.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.96 -42.65 2.86 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.493 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.445 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 43.7 p-90 -83.15 -42.1 17.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.731 0.301 . . . . 0.0 110.925 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.434 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 0.7 OUTLIER -52.82 155.19 2.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.73 160.82 21.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 62.64 133.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.24 150.85 37.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.0 tp -90.91 -47.99 7.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.58 101.59 3.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -112.4 147.62 18.29 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.523 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -32.61 18.14 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.719 2.28 . . . . 0.0 112.334 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.55 141.42 37.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.7 p -50.71 -53.1 34.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.511 179.962 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m -54.33 102.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.839 0.352 . . . . 0.0 110.889 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.47 104.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.879 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.55 -111.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.497 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -107.48 136.75 46.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.873 0.368 . . . . 0.0 110.889 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.9 t -82.65 -53.34 6.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.836 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.43 164.45 25.16 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.444 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.11 124.41 31.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.827 0.346 . . . . 0.0 110.889 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.89 132.43 5.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 65.34 131.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.557 ' C ' HD23 ' A' ' 11' ' ' LEU . 7.1 tt -68.06 -53.53 24.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.591 ' CZ2' ' HG3' ' A' ' 13' ' ' GLU . 28.5 p-90 -40.02 -32.3 0.16 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.591 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -82.39 -37.55 25.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.476 ' CD2' ' N ' ' A' ' 15' ' ' VAL . 2.3 t80 -57.05 -60.87 2.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.476 ' N ' ' CD2' ' A' ' 14' ' ' PHE . 3.0 p -60.92 -39.7 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.428 ' HE ' ' N ' ' A' ' 17' ' ' ASP . 0.5 OUTLIER -58.23 -41.66 84.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 21' ' ' SER . 7.1 t70 -53.39 -51.69 61.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.488 ' HB3' HD12 ' A' ' 29' ' ' LEU . 7.6 mp -44.82 -42.33 7.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.476 HD13 ' CH2' ' A' ' 31' ' ' TRP . 53.4 mt -61.81 -39.47 91.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 mt -92.06 -6.55 50.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 17' ' ' ASP . 2.3 m -121.56 82.37 40.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.657 0.741 . . . . 0.0 110.851 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -9.35 25.92 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.711 2.274 . . . . 0.0 112.337 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -81.53 -26.51 35.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.89 -44.98 5.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -66.24 124.19 22.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.825 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.3 t -115.24 86.59 2.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.82 30.16 14.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.7 mt -87.48 -30.32 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 111.123 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.488 HD12 ' HB3' ' A' ' 18' ' ' LEU . 1.1 mt -137.47 172.57 12.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -145.96 145.41 30.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.478 ' CD2' ' HD2' ' A' ' 34' ' ' ARG . 8.0 m95 -89.8 100.97 13.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -81.76 -24.42 36.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -166.31 104.86 0.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.478 ' HD2' ' CD2' ' A' ' 31' ' ' TRP . 55.2 mmm-85 -69.14 -33.01 72.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -69.4 -50.83 42.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -78.3 -29.02 47.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.57 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 91.94 22.19 31.2 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.503 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 22.6 mt -83.38 137.42 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 111.102 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.671 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 37.9 p90 -139.98 152.65 46.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.3 ttt85 -112.28 148.62 33.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 85.4 t -97.25 79.23 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.2 t -48.93 -47.27 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -116.46 93.65 4.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.473 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 93.4 p -66.91 -27.51 67.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -79.15 -40.16 31.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.12 -36.87 77.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.7 tp -61.72 -41.66 97.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.51 -47.13 50.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -53.89 -49.58 68.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.1 -54.55 39.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.537 ' NE1' HD12 ' A' ' 11' ' ' LEU . 23.1 t-105 -48.8 -54.46 15.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.477 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -47.08 -44.86 19.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.467 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -54.15 -33.8 58.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.811 0.338 . . . . 0.0 110.899 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -70.79 -36.16 72.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.99 10.97 37.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 57.13 23.63 8.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -94.27 92.81 7.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -62.44 -19.22 63.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -101.13 33.57 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.477 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 50.5 tpp -83.78 131.98 34.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.0 t -150.19 146.42 26.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.473 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 3.4 t80 -39.67 -45.63 1.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -51.16 -41.27 60.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -82.97 -46.51 12.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.519 HD12 ' CD1' ' A' ' 51' ' ' TRP . 4.3 tt -50.94 -46.46 60.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 94.4 p -44.64 -33.62 1.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.815 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 68' ' ' ALA . 2.9 ptt-85 -46.58 -43.15 16.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.431 ' HB3' HD13 ' A' ' 11' ' ' LEU . . . -74.67 -34.61 62.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.405 ' HA ' HD12 ' A' ' 78' ' ' LEU . 59.2 mt -63.77 -43.01 97.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.582 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -74.8 -19.88 60.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -87.46 -15.35 37.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.483 ' HB2' HD12 ' A' ' 78' ' ' LEU . 8.6 m-85 -79.41 -10.48 59.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.582 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 23.2 m-85 -72.57 -55.24 7.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.01 -43.15 73.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.0 p -74.2 -20.73 60.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 95.47 -11.51 68.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.517 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.472 HD13 ' HB3' ' A' ' 92' ' ' ASN . 14.9 mm -50.72 -42.69 23.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.883 0.373 . . . . 0.0 111.105 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.483 HD12 ' HB2' ' A' ' 72' ' ' TYR . 11.3 mt -115.15 166.47 11.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.45 122.59 38.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -50.3 130.92 23.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.596 HG11 HG12 ' A' ' 86' ' ' VAL . 32.9 t -121.91 141.38 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -102.21 33.23 3.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.513 ' H ' HG12 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -119.43 177.75 4.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.464 ' O ' HG23 ' A' ' 86' ' ' VAL . 3.0 tpt180 -93.44 123.91 37.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.7 mp 48.47 36.56 7.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.596 HG12 HG11 ' A' ' 81' ' ' VAL . 33.8 t -127.46 115.06 38.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.171 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.524 ' HA ' HG21 ' A' ' 81' ' ' VAL . 4.1 m-85 -116.06 170.86 8.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -148.9 130.19 14.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.671 ' CE2' ' CE1' ' A' ' 39' ' ' PHE . 98.6 m-85 -73.29 130.21 39.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -74.64 -158.88 6.49 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.69 -32.28 25.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.776 0.322 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.472 ' HB3' HD13 ' A' ' 77' ' ' ILE . 3.1 m-80 -57.51 -35.05 69.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.41 104.88 7.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.064 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -104.27 120.9 42.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 159.03 -37.23 0.5 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.57 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 62.9 p-90 -86.16 -52.81 5.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.729 0.3 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.42 ' N ' ' CG ' ' A' ' 96' ' ' TRP . 0.0 OUTLIER -52.7 149.96 5.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -68.93 152.72 44.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -132.68 145.51 51.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -56.41 161.87 2.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.5 mp -137.69 141.92 41.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.94 91.57 5.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -176.24 76.47 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.45 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 146.17 59.24 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.74 -59.05 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.82 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 97.4 p -154.1 139.67 17.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.469 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.7 p -172.29 175.46 3.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 110.823 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.3 t -73.74 -49.91 23.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.848 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.0 60.68 4.08 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.467 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.62 106.69 4.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.913 0.387 . . . . 0.0 110.881 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t -171.99 -43.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.825 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.79 -68.09 0.59 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.453 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.3 t 47.6 97.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.378 . . . . 0.0 110.879 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.84 166.67 14.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.403 ' HB3' ' CD1' ' A' ' 12' ' ' TRP . 23.1 m-70 62.7 123.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.511 HD23 ' HB3' ' A' ' 68' ' ' ALA . 34.4 tp -58.25 -54.97 40.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.965 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.574 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 17.1 p-90 -40.11 -38.31 0.73 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.574 ' HG2' ' CH2' ' A' ' 12' ' ' TRP . 0.5 OUTLIER -72.44 -41.32 66.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.4 t80 -63.63 -50.96 67.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.418 ' HA ' HD12 ' A' ' 18' ' ' LEU . 7.7 p -63.15 -30.38 49.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 1.6 ttp180 -75.81 -47.43 25.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.05 -29.47 30.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.461 ' CD2' ' HB2' ' A' ' 25' ' ' ASN . 8.1 mt -66.0 -44.41 84.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.472 HD22 ' CE2' ' A' ' 31' ' ' TRP . 7.1 mt -59.0 -35.1 72.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.3 mt -86.82 -13.0 46.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.5 m -116.77 80.81 11.18 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.656 0.741 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -5.95 17.43 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.321 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -85.22 -25.3 27.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.12 -39.46 7.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.461 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . 11.1 t30 -77.16 130.99 38.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.85 86.57 2.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 48.26 37.64 18.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.1 mt -91.6 -23.85 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.87 0.367 . . . . 0.0 111.122 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.614 HD23 ' HA ' ' A' ' 41' ' ' VAL . 9.2 mt -141.81 167.23 22.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -139.65 149.63 43.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.472 ' CE2' HD22 ' A' ' 19' ' ' LEU . 9.9 m95 -96.13 98.02 10.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -79.57 -25.48 41.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -167.84 102.5 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.8 tpt85 -68.01 -39.2 83.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.2 -49.62 76.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -79.09 -32.0 44.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.08 27.25 11.16 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.459 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 29.2 mt -88.72 140.22 16.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.906 0.384 . . . . 0.0 111.112 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 87' ' ' TYR . 22.8 p90 -142.42 153.15 43.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -115.67 144.49 43.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.614 ' HA ' HD23 ' A' ' 29' ' ' LEU . 58.7 t -91.53 84.17 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.9 t -55.04 -52.37 44.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -111.2 90.79 3.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.575 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 89.1 p -65.03 -29.54 70.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -73.03 -50.08 25.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.59 -37.76 88.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 32.1 tp -55.67 -53.1 60.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.527 ' HA ' HD13 ' A' ' 65' ' ' LEU . . . -66.05 -50.44 64.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.65 -48.44 49.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.9 mmm -66.37 -46.05 78.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 23.6 t-105 -54.21 -51.76 63.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.25 -46.57 34.89 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.476 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -50.63 -30.87 14.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.79 0.329 . . . . 0.0 110.901 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -74.53 -37.39 63.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -93.97 3.35 55.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.42 47.36 14.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.502 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 47.3 t-20 -91.52 -43.93 9.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 6.4 t0 83.71 -33.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.3 mtt-85 -104.91 33.93 3.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 48.6 tpp -84.16 132.81 34.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 62' ' ' TYR . 6.8 t -150.84 143.4 24.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.575 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 6.4 t80 -34.77 -42.46 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.47 -49.78 54.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 61' ' ' THR . 8.9 mttt -79.78 -42.78 23.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.527 HD13 ' HA ' ' A' ' 48' ' ' ALA . 6.8 tt -52.12 -40.83 61.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 54.7 p -54.22 -30.37 49.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.844 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -48.03 -39.62 20.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.591 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -75.65 -35.66 60.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.56 ' HB3' ' CE2' ' A' ' 87' ' ' TYR . 44.3 mt -63.68 -41.08 98.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.579 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -84.65 -20.85 30.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.524 ' CE1' ' HD2' ' A' ' 74' ' ' LYS . 15.7 t80 -83.94 -12.99 54.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.591 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 10.9 m-85 -83.27 -20.1 35.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.579 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 21.3 m-85 -63.45 -40.9 98.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.524 ' HD2' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -62.53 -36.47 82.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.0 p -87.88 -17.54 31.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.158 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.64 -20.35 48.97 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.517 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.0 mm -38.41 -45.48 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 111.102 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.462 ' HB2' ' CB ' ' A' ' 72' ' ' TYR . 0.8 OUTLIER -109.18 -177.4 3.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 88' ' ' LYS . 0.4 OUTLIER -125.05 128.03 47.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -70.0 101.52 1.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 51.3 t -106.72 137.28 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -94.49 44.25 1.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -117.77 -174.36 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.635 ' O ' HG23 ' A' ' 86' ' ' VAL . 3.7 tpt180 -97.2 119.55 35.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.7 mp 44.0 41.91 4.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 84' ' ' ARG . 41.6 t -126.77 108.82 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 69' ' ' LEU . 10.5 m-85 -113.51 168.52 9.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 79' ' ' GLU . 6.7 tttm -151.89 137.52 17.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 89.5 m-85 -74.69 123.84 25.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.49 -147.45 0.26 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.22 -22.17 18.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.782 0.325 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -67.28 -30.59 70.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.73 130.07 40.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 27.2 p80 -128.55 125.18 37.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 145.5 -43.13 0.94 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.573 ' CD2' ' N ' ' A' ' 97' ' ' GLN . 65.7 p-90 -80.69 -54.05 5.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.699 0.285 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.573 ' N ' ' CD2' ' A' ' 96' ' ' TRP . 0.0 OUTLIER -51.79 157.5 1.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -101.68 146.6 27.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 13.8 t70 56.62 161.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -151.02 157.11 42.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 178.72 173.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.3 t -161.35 90.49 0.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 140.25 152.01 5.73 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.461 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -8.98 24.98 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.724 2.283 . . . . 0.0 112.35 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.94 130.07 42.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 27.7 t -81.91 110.35 17.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.458 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.52 142.13 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.93 0.395 . . . . 0.0 110.842 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t 69.15 156.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.45 -178.54 16.37 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.468 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.9 p -167.39 110.41 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.364 . . . . 0.0 110.874 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.89 128.33 42.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.886 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.52 151.72 20.96 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.452 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 9' ' ' SER . 15.1 m -57.25 -52.16 66.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.37 . . . . 0.0 110.848 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 8' ' ' SER . 0.4 OUTLIER 78.65 -58.54 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 -179.81 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -86.41 137.42 32.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.557 HD23 ' CE2' ' A' ' 51' ' ' TRP . 1.8 tm? -49.96 -55.93 12.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.465 ' CZ3' ' HB1' ' A' ' 93' ' ' ALA . 30.4 p-90 -49.86 -39.6 39.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.07 -34.96 75.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.529 ' CE1' ' HB2' ' A' ' 51' ' ' TRP . 2.2 t80 -66.65 -51.81 51.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.45 ' HB ' HD11 ' A' ' 47' ' ' LEU . 2.4 p -64.37 -37.13 79.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 8.3 ttp180 -71.07 -47.48 58.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -50.99 -40.04 57.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.44 ' CD2' ' HB2' ' A' ' 25' ' ' ASN . 14.6 mt -51.42 -41.45 60.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.523 HD22 ' CE2' ' A' ' 31' ' ' TRP . 3.8 mt -64.98 -41.35 95.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.3 mt -79.78 -19.14 49.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.3 m -113.61 80.59 4.96 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.59 0.709 . . . . 0.0 110.853 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -13.49 34.83 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.726 2.284 . . . . 0.0 112.355 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -74.47 -28.4 61.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.88 -44.36 5.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.44 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . 24.1 t30 -69.03 127.28 32.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.23 85.16 2.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 52.94 38.16 54.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.421 HD12 HD22 ' A' ' 18' ' ' LEU . 53.4 mt -89.81 -35.61 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.902 0.382 . . . . 0.0 111.143 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.438 HD21 HG23 ' A' ' 15' ' ' VAL . 2.2 mt -132.58 172.6 12.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.46 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 1.0 OUTLIER -145.31 143.63 30.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.901 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.523 ' CE2' HD22 ' A' ' 19' ' ' LEU . 11.2 m95 -88.63 96.35 10.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.941 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -77.2 -26.22 52.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -166.25 106.28 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.52 ' HD3' ' CG ' ' A' ' 31' ' ' TRP . 5.0 mmm180 -68.11 -42.77 79.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -60.39 -51.97 67.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -75.57 -32.46 60.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.413 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 92.8 26.54 16.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.0 mt -87.68 135.77 24.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.827 0.346 . . . . 0.0 111.174 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.491 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 34.8 p90 -137.09 148.9 47.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -110.14 142.55 41.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.411 ' O ' HD23 ' A' ' 85' ' ' LEU . 86.9 t -91.55 83.2 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.46 ' CG2' ' HG3' ' A' ' 30' ' ' GLU . 58.7 t -54.38 -49.6 63.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -113.22 104.28 12.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 97.7 p -78.84 -22.23 46.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -85.4 -30.43 23.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.835 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.16 -38.39 36.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.45 HD11 ' HB ' ' A' ' 15' ' ' VAL . 29.9 tp -61.8 -42.39 98.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.04 -47.72 34.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.055 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.6 mttp -53.59 -50.96 64.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.419 ' CE ' HD21 ' A' ' 18' ' ' LEU . 1.1 mmm -65.34 -44.09 88.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.557 ' CE2' HD23 ' A' ' 11' ' ' LEU . 22.1 t-105 -56.06 -50.4 71.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.481 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -50.23 -46.43 43.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.499 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -52.24 -30.86 29.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.8 0.333 . . . . 0.0 110.896 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -72.53 -39.59 67.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.72 11.28 34.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.37 32.36 20.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.481 ' OD1' ' N ' ' A' ' 59' ' ' ARG . 32.0 t-20 -100.63 89.43 3.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.91 -15.04 10.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.481 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 1.7 mtt180 -108.96 36.59 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.481 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 47.9 tpp -84.91 135.93 33.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.0 t -154.96 150.29 27.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -41.33 -46.12 3.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -47.86 -39.96 20.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -87.51 -47.84 8.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 tt -49.35 -39.79 33.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.9 m -57.44 -31.25 65.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -45.38 -40.24 7.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.43 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -78.35 -32.93 49.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.409 HD21 HD11 ' A' ' 11' ' ' LEU . 63.8 mt -65.99 -40.53 91.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.536 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -82.66 -18.06 42.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.473 ' O ' ' CD1' ' A' ' 71' ' ' TYR . 19.6 t80 -87.51 -17.45 32.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.469 ' CD1' ' HB ' ' A' ' 77' ' ' ILE . 7.2 m-85 -77.86 -17.31 57.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.536 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 25.7 m-85 -69.18 -3.2 12.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -98.87 -36.0 9.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.925 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.2 p -92.36 -8.45 44.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.3 -18.86 53.13 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.478 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.469 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 3.6 mm -39.08 -45.46 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.891 0.376 . . . . 0.0 111.152 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.3 mt -117.71 166.17 12.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.949 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.446 ' O ' HG23 ' A' ' 81' ' ' VAL . 0.3 OUTLIER -118.86 117.02 27.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.433 ' HA ' ' CE1' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -52.49 115.99 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 -179.892 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 79' ' ' GLU . 47.8 t -106.14 147.13 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.43 39.73 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.1 mtp85 -129.1 179.01 6.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.828 ' O ' HG23 ' A' ' 86' ' ' VAL . 15.4 ttt85 -98.6 132.08 44.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.411 HD23 ' O ' ' A' ' 41' ' ' VAL . 10.1 mp 43.88 42.59 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 84' ' ' ARG . 86.1 t -140.3 104.45 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.408 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 15.3 m-85 -109.97 171.88 7.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -149.3 126.54 11.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 95.5 m-85 -68.17 133.14 48.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -78.19 -150.6 4.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.42 -15.97 25.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.339 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.06 -32.81 72.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.465 ' HB1' ' CZ3' ' A' ' 12' ' ' TRP . . . -77.19 140.46 40.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.095 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 14.3 p-80 -124.3 149.13 46.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 116.95 -39.64 2.61 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.491 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.451 ' CZ2' ' HG3' ' A' ' 97' ' ' GLN . 29.5 p-90 -82.53 -42.26 18.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.745 0.307 . . . . 0.0 110.94 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.451 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 0.3 OUTLIER -51.68 150.91 3.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -91.12 149.1 21.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 61.21 137.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.33 86.04 2.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.411 HD12 ' O ' ' A' ' 102' ' ' SER . 2.0 pp -106.63 130.02 54.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.411 ' O ' HD12 ' A' ' 101' ' ' LEU . 41.6 m -79.11 175.51 10.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.819 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.69 -158.18 8.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.518 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 105' ' ' SER . 53.3 Cg_endo -69.76 106.52 1.68 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.712 2.275 . . . . 0.0 112.304 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 104' ' ' PRO . 89.0 p -34.6 -49.72 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 107' ' ' GLY . 77.9 p 45.48 92.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 106' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.5 81.08 9.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 0.0 110.875 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.5 p -157.03 129.8 7.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.874 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.81 -94.05 0.51 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.97 41.42 0.66 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.86 0.362 . . . . 0.0 110.88 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.85 -42.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.844 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.2 58.35 0.43 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.8 t -136.57 72.86 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.935 0.397 . . . . 0.0 110.843 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.49 83.58 1.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.84 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -152.33 145.72 24.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.816 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 14' ' ' PHE . 8.6 tp -75.86 -55.62 5.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.544 ' CZ2' ' HG3' ' A' ' 13' ' ' GLU . 17.8 p-90 -40.25 -36.95 0.58 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.544 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.7 OUTLIER -75.45 -40.76 57.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.7 t80 -60.43 -49.96 75.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.8 p -68.52 -38.58 79.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.162 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 1.6 ttp180 -65.22 -38.66 91.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -57.46 -45.48 84.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.466 ' HB3' HD12 ' A' ' 29' ' ' LEU . 4.9 mp -49.53 -43.39 45.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.518 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 19.2 mt -59.13 -31.24 68.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mt -99.61 -6.95 26.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -118.73 82.09 19.76 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.691 0.758 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -6.66 19.15 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.713 2.275 . . . . 0.0 112.322 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -83.75 -28.54 28.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.36 -43.88 5.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -66.39 123.05 18.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.6 t -114.76 88.28 2.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 46.13 34.0 5.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.6 mt -90.01 -36.29 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.854 0.359 . . . . 0.0 111.137 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.466 HD12 ' HB3' ' A' ' 18' ' ' LEU . 1.9 mt -130.63 169.82 15.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -145.42 147.73 32.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.54 ' CD2' ' HD2' ' A' ' 34' ' ' ARG . 9.2 m95 -90.47 102.0 14.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.72 -31.86 46.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -166.82 90.69 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.838 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.54 ' HD2' ' CD2' ' A' ' 31' ' ' TRP . 2.7 tpt180 -51.35 -34.63 34.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -67.81 -46.99 70.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -84.98 -3.85 58.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.451 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 63.56 24.1 67.52 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 59.8 mt -88.97 125.37 42.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 111.135 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.424 ' CZ ' ' HB2' ' A' ' 87' ' ' TYR . 13.8 p90 -128.4 160.27 32.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -122.11 153.86 38.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.4 t -102.83 86.0 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.2 t -55.07 -38.76 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.2 mttm -118.37 112.65 20.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.572 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 87.5 p -88.66 -20.09 25.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.33 -29.35 18.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.19 -32.42 29.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.507 HD23 ' CE1' ' A' ' 62' ' ' TYR . 28.7 tp -61.13 -50.46 73.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.49 ' HA ' HD13 ' A' ' 65' ' ' LEU . . . -64.24 -46.74 82.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.073 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.3 mttp -53.16 -49.64 66.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.1 mmm -60.56 -45.48 93.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.892 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.414 ' CB ' HD12 ' A' ' 65' ' ' LEU . 30.0 t-105 -58.15 -54.78 43.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.485 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -43.62 -42.29 5.92 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -53.41 -41.66 66.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.446 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 15.4 mmm180 -68.27 -34.5 76.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -101.77 18.3 20.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER 36.44 33.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.895 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' LYS . 26.1 t-20 -96.42 93.26 6.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -59.66 -10.73 3.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.419 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 3.1 mmt180 -106.28 21.36 17.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.485 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 39.8 tpp -73.21 136.11 44.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 64' ' ' LYS . 2.4 p -153.23 144.99 23.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.572 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 7.4 t80 -41.92 -29.75 0.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.64 -42.13 78.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.419 ' CE ' ' O ' ' A' ' 59' ' ' ARG . 2.8 mtpp -82.33 -29.6 30.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.49 HD13 ' HA ' ' A' ' 48' ' ' ALA . 7.3 tt -69.48 -42.55 74.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.1 m -61.49 -22.61 65.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.5 ptt180 -50.49 -33.55 21.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -86.53 -26.72 24.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 98.3 mt -64.89 -35.56 81.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.565 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -86.16 -25.92 25.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -75.93 -15.22 60.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.935 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.452 ' CD1' ' HB ' ' A' ' 77' ' ' ILE . 8.2 m-85 -78.23 -18.75 54.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.929 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.565 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 23.6 m-85 -68.99 -14.11 62.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.9 mtpp -86.97 -40.2 15.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 29.0 p -86.66 -14.93 41.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.62 -12.99 65.91 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.452 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 9.7 mm -44.42 -46.21 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.866 0.365 . . . . 0.0 111.085 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.2 mt -113.92 172.44 6.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -125.75 125.33 42.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.06 122.52 13.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.5 t -114.91 145.94 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.02 28.72 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.889 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -135.29 136.77 41.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.707 ' O ' HG23 ' A' ' 86' ' ' VAL . 6.8 ptt-85 -67.95 161.46 26.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 84' ' ' ARG . 8.6 mp 37.02 30.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 84' ' ' ARG . 70.9 t -137.76 107.1 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.424 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 16.6 m-85 -114.74 168.3 10.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -149.67 127.6 11.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 97.6 m-85 -67.56 135.09 52.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -81.22 -147.07 5.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.462 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.68 -24.38 19.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.83 0.348 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -64.68 -31.57 72.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.32 153.91 39.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.1 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -139.81 166.54 24.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 96.39 -39.22 2.87 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.451 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 23.3 p-90 -85.43 -36.53 20.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.68 0.276 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -52.88 160.46 0.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.922 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.43 154.34 17.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -122.92 169.28 11.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.42 ' HD3' ' N ' ' A' ' 100' ' ' LYS . 0.0 OUTLIER -95.07 159.9 14.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.88 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.41 ' C ' HD12 ' A' ' 101' ' ' LEU . 1.9 pp -119.15 128.64 54.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.5 t -170.13 -59.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -90.71 146.45 18.47 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.486 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 114.94 3.88 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.656 2.237 . . . . 0.0 112.343 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.65 163.67 30.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 72.8 m -79.89 168.05 19.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.1 p -105.59 85.06 2.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 110.861 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.8 p -138.84 41.93 2.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.7 177.99 47.75 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.1 p -68.5 -36.0 78.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 110.892 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.1 137.33 3.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.855 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.46 144.8 4.17 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.462 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.23 168.63 19.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 0.0 110.857 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.5 m -115.54 -40.9 3.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.831 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.439 ' HB3' ' CD1' ' A' ' 12' ' ' TRP . 27.0 m-70 -90.69 127.0 36.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 14' ' ' PHE . 26.4 tp -56.61 -56.34 22.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.565 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 29.5 p-90 -40.19 -35.15 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.565 ' HG2' ' CH2' ' A' ' 12' ' ' TRP . 1.0 OUTLIER -75.46 -38.88 59.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -64.24 -52.82 56.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.431 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 6.2 p -63.36 -36.06 74.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 4.1 ttp180 -69.17 -47.85 63.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -53.15 -33.58 53.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.523 HD22 ' HB2' ' A' ' 25' ' ' ASN . 16.4 mt -63.55 -46.36 86.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.492 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 13.0 mt -59.71 -30.98 69.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.7 mt -90.94 -15.82 29.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.9 m -114.7 81.31 7.06 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.628 0.728 . . . . 0.0 110.817 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -2.29 9.94 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -88.52 -25.6 22.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.35 -41.63 6.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.523 ' HB2' HD22 ' A' ' 18' ' ' LEU . 7.1 t30 -72.94 132.44 43.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.412 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 1.8 t -116.44 88.22 2.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 45.57 42.28 10.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.458 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.493 ' CD1' ' SD ' ' A' ' 50' ' ' MET . 23.1 mt -95.1 -29.85 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 111.129 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.631 HD23 ' HA ' ' A' ' 41' ' ' VAL . 2.1 mt -141.93 168.18 20.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -139.8 147.53 40.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.492 ' CE2' ' HB3' ' A' ' 19' ' ' LEU . 10.5 m95 -86.77 102.18 14.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 3.3 mm-40 -80.62 -29.87 36.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 32' ' ' GLU . 47.4 m-20 -162.06 104.22 1.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.5 mmm-85 -65.95 -41.62 91.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -54.63 38.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -75.11 -26.49 59.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.448 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 85.93 25.53 37.53 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.481 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 38.4 mt -86.78 138.26 19.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.885 0.374 . . . . 0.0 111.09 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 14.9 p90 -142.32 158.24 43.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.9 ttt180 -119.36 143.04 47.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.819 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.631 ' HA ' HD23 ' A' ' 29' ' ' LEU . 59.9 t -87.52 85.92 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.8 t -55.19 -50.43 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -111.69 85.45 2.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.534 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 81.1 p -64.22 -16.08 61.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -84.65 -53.39 5.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.32 -30.46 71.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.455 HD23 ' CE1' ' A' ' 62' ' ' TYR . 8.6 tp -60.65 -49.3 78.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.93 -50.99 60.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -49.8 -50.61 44.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.493 ' SD ' ' CD1' ' A' ' 28' ' ' ILE . 60.3 mtp -60.63 -49.19 78.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.722 ' CD1' HD12 ' A' ' 65' ' ' LEU . 26.9 t-105 -53.41 -47.39 69.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.469 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -52.13 -46.37 56.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.538 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -53.8 -30.65 45.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.792 0.329 . . . . 0.0 110.915 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -74.49 -40.03 62.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.39 5.18 52.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 52' ' ' GLY . 8.0 mtmt 60.08 29.67 19.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -97.0 85.46 3.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.79 -19.19 3.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -103.44 32.22 3.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.469 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 46.1 tpp -79.45 131.91 36.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.415 HG23 ' H ' ' A' ' 64' ' ' LYS . 14.6 t -152.02 138.54 18.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.078 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.534 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 4.0 t80 -38.86 -35.88 0.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -56.88 -45.15 82.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.415 ' H ' HG23 ' A' ' 61' ' ' THR . 56.7 mttm -84.98 -39.91 17.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.722 HD12 ' CD1' ' A' ' 51' ' ' TRP . 4.7 tt -55.44 -45.43 76.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 64.0 p -50.83 -32.48 20.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.41 -41.28 13.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.01 -32.24 61.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.072 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.451 ' HA ' ' CD1' ' A' ' 78' ' ' LEU . 57.2 mt -65.43 -33.36 75.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.562 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 4.7 mmm180 -87.89 -20.95 25.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -83.63 -21.44 32.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -70.68 -28.53 64.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.562 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 24.8 m-85 -57.95 -28.38 64.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -68.79 -37.2 79.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.1 p -90.77 -23.83 20.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.19 -22.18 27.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.468 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.663 HD13 ' HB3' ' A' ' 92' ' ' ASN . 25.2 mm -38.24 -45.06 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.369 . . . . 0.0 111.125 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.482 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 9.9 mt -111.93 165.93 11.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.493 ' O ' HG23 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -119.72 123.09 42.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.41 125.03 16.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.85 HG12 ' H ' ' A' ' 83' ' ' ARG . 92.8 t -123.31 138.42 53.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -101.67 30.65 4.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.85 ' H ' HG12 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -112.07 175.85 5.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.806 ' O ' HG23 ' A' ' 86' ' ' VAL . 4.9 tpt180 -84.45 121.31 27.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.8 mp 41.94 40.84 1.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 84' ' ' ARG . 75.2 t -121.92 110.49 27.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -114.38 168.18 10.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -150.55 136.51 18.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 92.9 m-85 -74.47 124.87 27.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -71.47 -155.85 2.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.45 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.19 -22.57 22.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.663 ' HB3' HD13 ' A' ' 77' ' ' ILE . 0.8 OUTLIER -64.81 -34.83 79.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.95 162.28 29.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -146.49 178.78 8.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.85 -35.67 4.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.5 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.448 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 41.4 p-90 -88.11 -41.96 12.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.733 0.302 . . . . 0.0 110.942 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -46.81 157.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -142.27 119.25 11.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.88 165.87 11.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -50.79 172.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.8 135.34 34.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.89 151.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 139.48 -159.51 25.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.452 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 120.67 7.42 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.691 2.261 . . . . 0.0 112.303 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 50.6 p -156.14 161.74 40.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.2 t 42.18 47.09 3.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.1 t -143.63 42.5 1.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.31 110.65 21.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.26 -174.48 50.18 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.462 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.0 p -161.2 130.22 4.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.892 0.377 . . . . 0.0 110.865 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.07 113.33 26.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.06 -56.39 0.21 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.5 p -108.81 166.11 11.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.909 0.385 . . . . 0.0 110.847 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.5 m -158.48 119.33 3.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.841 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -110.82 130.27 55.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.424 ' O ' HD12 ' A' ' 11' ' ' LEU . 3.6 tp -53.05 -56.43 16.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.524 ' CZ2' ' HG3' ' A' ' 13' ' ' GLU . 17.6 p-90 -41.78 -36.85 1.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.524 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -76.61 -41.22 46.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -61.11 -57.87 10.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.3 p -58.55 -40.38 78.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.126 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.51 ' HB2' ' CE1' ' A' ' 89' ' ' PHE . 4.9 ttp180 -62.29 -43.46 98.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.57 -51.05 61.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.9 mp -44.81 -44.58 9.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.441 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . 41.3 mt -57.56 -36.51 71.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.7 mt -94.61 -6.13 44.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -120.42 82.2 31.85 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.638 0.732 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -10.71 29.24 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.256 . . . . 0.0 112.364 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -79.84 -24.73 41.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.39 -45.22 4.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -65.24 119.88 11.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.11 85.34 2.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.55 37.02 25.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.45 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.0 mt -97.42 -23.21 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.874 0.368 . . . . 0.0 111.15 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.2 mt -142.27 167.77 21.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -146.76 146.97 30.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.441 ' NE1' ' HB3' ' A' ' 19' ' ' LEU . 7.6 m95 -90.44 98.83 12.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -77.67 -30.76 52.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.87 105.47 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -40.38 83.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -54.02 50.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -76.17 -30.09 57.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.496 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 91.27 27.2 18.94 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.443 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.7 mt -88.98 132.94 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.895 0.379 . . . . 0.0 111.116 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.54 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 33.6 p90 -131.68 158.55 40.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.436 ' HG2' ' N ' ' A' ' 41' ' ' VAL . 43.3 ttt180 -118.82 149.96 40.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.436 ' N ' ' HG2' ' A' ' 40' ' ' ARG . 99.1 t -99.63 84.11 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.4 t -53.55 -47.69 59.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.9 mttm -114.45 104.61 12.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.538 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 83.6 p -76.88 -27.55 55.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -77.69 -43.61 30.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.63 -37.43 76.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.065 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 36.7 tp -56.22 -48.11 77.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.571 ' HA ' HD13 ' A' ' 65' ' ' LEU . . . -70.72 -50.98 30.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.078 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.03 -48.32 43.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.4 mmm -66.03 -44.6 84.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.787 ' CD1' HD12 ' A' ' 65' ' ' LEU . 24.2 t-105 -52.55 -54.61 30.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 56' ' ' LYS . . . -48.94 -47.94 31.32 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -48.97 -38.07 22.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.748 0.308 . . . . 0.0 110.877 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -71.7 -41.19 68.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.834 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.93 -2.71 58.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 52' ' ' GLY . 0.4 OUTLIER 52.34 30.82 8.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.841 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -58.67 -88.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -179.44 -55.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 60' ' ' MET . 0.8 OUTLIER -149.61 37.77 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 59' ' ' ARG . 31.0 tpp -34.51 140.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.897 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 59' ' ' ARG . 0.7 OUTLIER -138.96 141.69 38.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.186 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.538 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 8.4 t80 -37.4 -32.37 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.964 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 61' ' ' THR . 2.2 tt0 -61.05 -47.27 87.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 61' ' ' THR . 2.4 mtpp -80.86 -35.63 32.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.787 HD12 ' CD1' ' A' ' 51' ' ' TRP . 5.6 tt -62.33 -42.87 99.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.959 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.466 ' HA ' HD12 ' A' ' 69' ' ' LEU . 21.7 p -54.95 -31.08 60.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.46 ' CG ' ' N ' ' A' ' 68' ' ' ALA . 12.9 ptt180 -47.14 -45.61 22.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.46 ' N ' ' CG ' ' A' ' 67' ' ' ARG . . . -74.09 -38.64 63.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 66' ' ' SER . 90.3 mt -51.6 -42.16 61.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.575 ' HA ' ' CD2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -83.68 -21.14 32.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -74.66 -26.56 59.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -69.25 -24.27 63.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.575 ' CD2' ' HA ' ' A' ' 70' ' ' ARG . 23.3 m-85 -61.97 -8.58 5.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -95.64 -27.46 15.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.6 p -98.66 -13.65 20.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.34 -20.64 49.43 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 13.9 mm -41.33 -45.95 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.888 0.375 . . . . 0.0 111.141 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.8 mt -114.68 172.29 7.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -129.97 125.48 35.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.404 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -58.65 129.65 43.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.412 HG12 ' H ' ' A' ' 83' ' ' ARG . 45.3 t -118.72 143.98 28.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -94.31 32.28 1.57 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.412 ' H ' HG12 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -119.3 -175.13 2.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.671 ' O ' HG23 ' A' ' 86' ' ' VAL . 21.5 ttp180 -106.74 127.91 53.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.2 mp 49.79 37.0 12.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 84' ' ' ARG . 92.3 t -132.73 109.19 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 34.4 m-85 -110.04 173.9 6.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -151.66 134.98 16.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.932 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.54 ' CE2' ' CD1' ' A' ' 39' ' ' PHE . 89.8 m-85 -77.02 124.19 27.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.844 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -71.13 -152.66 1.07 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.524 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.53 -25.64 20.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.78 0.324 . . . . 0.0 110.857 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.84 -34.41 73.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.423 ' HB1' ' CZ3' ' A' ' 12' ' ' TRP . . . -77.74 138.45 39.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.083 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 31.5 p80 -129.57 119.64 23.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 160.65 -41.09 0.43 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.498 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.496 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 61.2 p-90 -84.93 -53.99 4.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.761 0.315 . . . . 0.0 110.893 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.451 ' N ' ' CG ' ' A' ' 96' ' ' TRP . 0.0 OUTLIER -52.21 149.22 5.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.926 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.46 111.33 2.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 58.35 178.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.53 145.2 24.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.3 mt 177.93 126.08 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.1 m 62.95 95.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 158.38 78.08 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -10.73 29.29 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.689 2.259 . . . . 0.0 112.342 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 46.5 t 62.95 154.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 72.6 p -162.56 101.1 1.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.485 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.47 113.03 0.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.89 0.376 . . . . 0.0 110.881 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.34 92.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.91 99.99 1.21 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.8 t -163.71 148.65 10.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.75 88.34 1.05 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.32 -53.68 0.48 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.453 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 91.8 p -59.48 142.48 52.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 110.892 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.8 p 178.62 -53.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 60.76 124.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.466 HD23 ' HB3' ' A' ' 68' ' ' ALA . 27.0 tp -54.87 -57.66 10.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 72' ' ' TYR . 18.5 p-90 -40.79 -32.6 0.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.413 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.3 OUTLIER -78.9 -39.9 33.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.437 ' CD1' ' N ' ' A' ' 15' ' ' VAL . 1.5 t80 -61.73 -57.32 12.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.437 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 6.2 p -58.33 -43.55 86.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.166 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.543 ' HB2' ' CE1' ' A' ' 89' ' ' PHE . 1.9 ttp180 -60.31 -37.33 80.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -57.92 -50.51 73.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.429 ' HB3' HD12 ' A' ' 29' ' ' LEU . 8.0 mp -44.28 -45.06 8.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.507 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 34.0 mt -58.72 -38.13 77.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.0 mt -92.07 -6.33 51.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.4 m -122.07 81.62 43.7 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.691 0.758 . . . . 0.0 110.823 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -5.61 16.6 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.683 2.255 . . . . 0.0 112.383 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -84.66 -26.27 27.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.7 -46.45 4.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -62.88 120.95 12.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.12 87.17 2.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.15 41.56 30.56 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.527 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.7 mt -100.46 -35.55 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.869 0.366 . . . . 0.0 111.126 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.429 HD12 ' HB3' ' A' ' 18' ' ' LEU . 1.5 mt -130.59 174.51 9.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.478 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 1.0 OUTLIER -147.97 142.86 26.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.507 ' CE2' ' HB3' ' A' ' 19' ' ' LEU . 5.9 m95 -87.18 93.21 9.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.95 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.66 -34.08 69.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -159.73 112.54 2.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 34' ' ' ARG . 5.6 mmm180 -70.84 -40.05 72.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.58 -51.58 64.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -76.47 -34.53 58.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.456 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 93.47 24.61 20.89 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.429 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 12.5 mt -84.94 134.93 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.866 0.365 . . . . 0.0 111.132 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.494 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 49.5 p90 -134.55 151.15 50.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -112.17 145.57 39.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 92.9 t -91.15 84.04 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.478 ' CG2' ' HG3' ' A' ' 30' ' ' GLU . 68.2 t -53.04 -50.8 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -115.41 91.09 3.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.473 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 82.7 p -63.18 -23.88 67.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.836 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -80.71 -52.73 7.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.73 -32.86 72.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.116 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 34.1 tp -56.8 -51.41 69.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.5 ' HA ' HD13 ' A' ' 65' ' ' LEU . . . -71.12 -38.87 72.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.046 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.2 -49.04 75.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -65.56 -47.91 74.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 27.8 t-105 -52.88 -57.01 11.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.444 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -44.64 -44.17 8.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -57.88 -31.86 67.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.808 0.337 . . . . 0.0 110.901 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -73.16 -35.68 66.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.93 4.33 53.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.15 30.17 19.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -105.06 137.7 42.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.15 -4.82 28.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -106.37 24.45 12.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.444 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 39.9 tpp -79.89 134.22 36.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 62' ' ' TYR . 14.5 t -160.4 137.46 9.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.168 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.473 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 8.3 t80 -34.53 -43.65 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -49.78 -49.37 48.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 61' ' ' THR . 54.2 mttm -81.7 -42.86 19.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.5 HD13 ' HA ' ' A' ' 48' ' ' ALA . 7.0 tt -52.55 -38.79 60.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 69' ' ' LEU . 20.0 m -55.67 -34.73 65.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -43.85 -41.01 4.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.566 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -73.13 -31.81 64.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.046 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.531 HD13 ' CE2' ' A' ' 87' ' ' TYR . 85.4 mt -65.98 -37.01 84.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.429 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 3.2 mtt-85 -86.52 -21.25 27.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -82.7 -19.46 38.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.566 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 12.9 m-85 -73.62 -26.34 60.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.951 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.454 ' CD2' ' HD2' ' A' ' 80' ' ' ARG . 23.6 m-85 -59.42 -31.95 69.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.8 -44.85 88.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 46.3 p -84.55 -14.22 49.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 95.49 -14.58 64.75 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.5 mm -43.08 -40.6 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 111.129 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.6 mt -117.39 160.96 20.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.455 ' O ' HG23 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -117.72 117.81 30.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.454 ' HD2' ' CD2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -46.44 129.37 10.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.76 HG12 ' H ' ' A' ' 83' ' ' ARG . 84.7 t -120.36 139.15 48.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.57 32.68 3.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.76 ' H ' HG12 ' A' ' 81' ' ' VAL . 0.6 OUTLIER -117.02 -175.53 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.849 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.439 ' O ' HG23 ' A' ' 86' ' ' VAL . 11.7 ttp180 -97.9 120.95 39.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 85' ' ' LEU . 3.8 mm? 46.67 38.0 5.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.691 ' O ' HG11 ' A' ' 81' ' ' VAL . 18.7 t -126.01 105.25 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.13 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.531 ' CE2' HD13 ' A' ' 69' ' ' LEU . 6.5 m-85 -108.0 170.57 7.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -151.93 135.84 16.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.894 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.543 ' CE1' ' HB2' ' A' ' 16' ' ' ARG . 99.0 m-85 -73.74 134.59 43.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.836 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -81.0 -156.64 14.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -22.8 27.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.812 0.339 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -66.13 -30.77 71.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -81.76 130.67 35.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -117.85 165.65 13.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 104.68 -42.1 1.98 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.456 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 47.1 p-90 -79.83 -40.16 29.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.699 0.285 . . . . 0.0 110.901 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.47 164.64 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -48.59 100.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.27 165.92 16.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -131.26 135.94 47.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.944 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -112.25 41.83 1.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.8 t -168.58 138.75 2.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 55.97 74.26 0.34 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.484 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 91.76 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.605 2.203 . . . . 0.0 112.368 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.1 p 172.92 -42.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.68 -57.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 -179.95 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -162.66 97.57 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.868 0.366 . . . . 0.0 110.853 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.3 p -153.56 112.74 3.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.97 179.97 32.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.74 145.74 46.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.364 . . . . 0.0 110.853 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m -110.88 147.35 34.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.5 78.84 0.33 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.28 134.74 44.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 110.862 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 t -133.92 123.56 24.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 72.13 131.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.541 HD23 ' HB3' ' A' ' 68' ' ' ALA . 14.6 tp -60.27 -53.32 59.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.448 ' CZ2' ' HG3' ' A' ' 13' ' ' GLU . 10.6 p-90 -43.52 -31.51 0.73 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.448 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.7 OUTLIER -80.66 -39.45 27.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.433 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 1.1 t80 -64.88 -51.19 63.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.497 ' HA ' HD12 ' A' ' 18' ' ' LEU . 7.6 p -63.18 -34.11 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.468 ' HE ' ' N ' ' A' ' 17' ' ' ASP . 2.7 ttp180 -71.61 -48.28 49.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.832 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.468 ' N ' ' HE ' ' A' ' 16' ' ' ARG . 11.3 t70 -53.37 -36.18 61.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.533 HD21 ' CE ' ' A' ' 50' ' ' MET . 9.0 mt -57.76 -42.66 84.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.7 mt -62.84 -39.74 95.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.4 mt -81.91 -16.87 49.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.7 m -111.91 81.11 3.37 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.653 0.739 . . . . 0.0 110.832 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -3.56 12.32 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.637 2.224 . . . . 0.0 112.349 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -90.14 -23.85 21.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.31 -38.52 7.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 26' ' ' CYS . 5.7 t30 -75.84 133.36 40.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.459 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 5.5 t -116.43 85.99 2.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 44.73 42.6 7.69 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.467 HG23 ' HB2' ' A' ' 43' ' ' LYS . 19.1 mt -97.2 -28.45 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.866 0.365 . . . . 0.0 111.142 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.631 HD23 ' HA ' ' A' ' 41' ' ' VAL . 8.5 mt -135.23 170.99 15.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -146.64 151.0 36.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.533 ' CD1' ' HD3' ' A' ' 34' ' ' ARG . 10.5 m95 -96.7 115.49 27.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -88.0 -38.17 15.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -165.68 83.19 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.533 ' HD3' ' CD1' ' A' ' 31' ' ' TRP . 5.5 mmm180 -38.75 -48.34 1.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -47.3 -54.85 9.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -78.02 -16.53 58.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.927 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.551 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 78.53 18.21 76.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.474 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 36.6 mt -82.22 133.57 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.579 ' CE1' ' CE1' ' A' ' 89' ' ' PHE . 26.9 p90 -137.52 154.32 49.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -114.46 141.91 47.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.631 ' HA ' HD23 ' A' ' 29' ' ' LEU . 48.3 t -94.16 85.3 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.1 t -52.47 -51.48 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.467 ' HB2' HG23 ' A' ' 28' ' ' ILE . 41.2 mttm -108.39 101.57 10.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.8 p -77.24 -25.36 51.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -80.85 -36.94 30.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.16 -37.14 58.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.7 tp -54.95 -45.62 74.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.98 -49.14 30.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -48.93 -45.85 42.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.533 ' CE ' HD21 ' A' ' 18' ' ' LEU . 2.8 mmm -68.03 -44.88 75.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.831 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 27.1 t-105 -55.87 -52.67 63.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.439 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -46.99 -47.13 20.05 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.53 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -52.73 -31.56 38.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.777 0.322 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -75.46 -35.98 60.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.14 10.89 40.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 54.19 31.44 14.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 -97.3 86.61 3.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -55.94 -19.79 13.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -103.32 28.33 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.439 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 23.5 tpp -74.61 133.89 42.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.3 t -152.71 143.86 23.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.18 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -42.32 -28.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -64.0 -43.54 95.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -85.05 -35.2 22.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.5 tt -60.28 -39.23 86.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 69' ' ' LEU . 33.3 p -55.42 -33.94 63.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.406 ' CG ' ' N ' ' A' ' 68' ' ' ALA . 3.1 ptt85 -41.66 -43.13 2.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.597 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -74.3 -32.42 62.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.432 ' HA ' HD12 ' A' ' 78' ' ' LEU . 40.9 mt -67.19 -32.35 73.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.581 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 1.1 mmm180 -85.15 -24.01 28.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -86.46 -15.11 41.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 10.7 m-85 -78.77 -11.07 59.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.581 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 21.1 m-85 -72.81 -55.25 6.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.64 -42.44 78.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 p -74.91 -18.13 60.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.03 -13.18 68.32 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.471 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.505 HG21 ' CD1' ' A' ' 72' ' ' TYR . 3.7 mm -47.45 -41.87 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.797 0.332 . . . . 0.0 111.153 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.465 HD12 ' HB2' ' A' ' 72' ' ' TYR . 12.6 mt -116.43 170.07 8.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.31 123.51 42.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.22 120.83 9.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 89.3 t -118.77 141.22 39.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -93.99 44.75 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -130.89 179.38 6.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.763 ' O ' HG23 ' A' ' 86' ' ' VAL . 3.7 ttm-85 -104.86 134.62 47.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.3 mp 47.83 33.16 3.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 84' ' ' ARG . 88.8 t -132.56 109.84 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -115.47 172.41 7.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -151.11 133.9 15.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.579 ' CE1' ' CE1' ' A' ' 39' ' ' PHE . 96.5 m-85 -75.33 123.75 25.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.79 -150.1 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.0 -13.47 26.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.77 0.319 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -75.76 -31.03 59.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.48 127.86 34.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.082 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -115.71 143.72 44.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 123.51 -40.59 1.94 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.551 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 37.0 p-90 -84.35 -42.65 15.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.676 0.274 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.453 ' N ' ' CD2' ' A' ' 96' ' ' TRP . 0.8 OUTLIER -45.82 165.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 53.93 178.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.442 ' N ' ' OD1' ' A' ' 99' ' ' ASP . 0.7 OUTLIER 62.68 149.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 99' ' ' ASP . 2.4 tttm 38.21 67.76 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -139.91 142.86 36.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.5 m -179.52 101.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -150.98 156.27 26.58 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -38.81 7.24 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.695 2.263 . . . . 0.0 112.318 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.9 m -117.07 164.24 15.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.06 160.82 37.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 t -146.58 -46.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.922 0.391 . . . . 0.0 110.889 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.7 m -90.31 152.82 20.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.834 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.2 163.6 24.85 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.468 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 m -70.0 155.01 41.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.912 0.386 . . . . 0.0 110.823 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 t -108.81 109.21 20.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.836 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.45 137.69 5.9 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.83 145.8 50.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.885 0.374 . . . . 0.0 110.855 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.94 -167.2 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 59.06 157.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.817 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.747 HD23 ' NE1' ' A' ' 51' ' ' TRP . 1.5 tm? -75.91 -54.33 7.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.647 ' CZ3' ' HB1' ' A' ' 93' ' ' ALA . 20.1 p-90 -52.29 -44.48 65.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.596 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -69.67 -45.16 69.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.833 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 51' ' ' TRP . 3.0 t80 -48.51 -55.11 11.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 11' ' ' LEU . 3.6 p -66.64 -23.6 31.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.125 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 3.6 ttp180 -77.79 -34.57 52.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 21' ' ' SER . 21.2 t70 -61.99 -51.37 68.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.405 ' HB3' HD12 ' A' ' 29' ' ' LEU . 8.1 mp -43.77 -44.0 6.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.412 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 62.0 mt -60.41 -36.31 77.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mt -93.19 -9.69 38.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 17' ' ' ASP . 4.7 m -121.39 85.7 42.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.643 0.735 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -8.93 24.87 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.698 2.265 . . . . 0.0 112.356 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -78.1 -29.97 49.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.06 -42.35 6.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -67.71 118.52 11.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.38 84.82 2.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.17 36.89 57.83 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.1 mt -96.42 -39.91 9.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.899 0.38 . . . . 0.0 111.127 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.47 HD21 HD13 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -130.66 171.51 12.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.467 ' CG ' ' HB3' ' A' ' 40' ' ' ARG . 4.4 pt-20 -148.74 151.36 34.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.517 ' CD2' ' HD2' ' A' ' 34' ' ' ARG . 27.9 m95 -91.61 125.14 36.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -99.37 -49.77 4.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -149.31 71.04 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.517 ' HD2' ' CD2' ' A' ' 31' ' ' TRP . 5.6 tpt180 -34.44 -42.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -53.23 -51.53 61.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 33' ' ' ASP . 4.1 mt-30 -78.56 -26.67 45.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.415 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 90.24 27.22 21.38 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.445 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.5 mt -94.48 138.15 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.841 0.353 . . . . 0.0 111.154 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -140.76 152.66 45.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.467 ' HB3' ' CG ' ' A' ' 30' ' ' GLU . 42.0 ttt180 -111.61 148.05 34.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.526 HG13 HD22 ' A' ' 47' ' ' LEU . 57.9 t -94.43 83.77 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 77.5 t -48.91 -57.27 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -110.76 100.37 9.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.868 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.588 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 89.6 p -68.68 -28.22 66.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -75.67 -53.28 8.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.7 -37.47 81.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.526 HD22 HG13 ' A' ' 41' ' ' VAL . 49.6 tp -57.53 -46.98 83.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.447 ' HA ' HD13 ' A' ' 65' ' ' LEU . . . -73.91 -52.11 13.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -45.92 -48.82 16.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.24 -47.08 78.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.747 ' NE1' HD23 ' A' ' 11' ' ' LEU . 20.8 t-105 -52.8 -55.83 20.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.03 -47.1 15.04 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.525 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -50.06 -33.66 19.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 0.0 110.913 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -69.44 -41.83 75.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.66 3.96 51.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 47.21 48.9 15.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.49 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 32.5 t30 -93.5 -43.39 8.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 0.3 OUTLIER 82.93 -37.04 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -101.0 39.52 1.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 54.5 tpp -91.1 138.44 31.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 62' ' ' TYR . 8.8 t -157.47 144.99 18.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.141 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.588 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 4.2 t80 -36.11 -50.39 0.71 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -44.65 -44.97 9.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -83.8 -48.43 10.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.516 ' HG ' HD21 ' A' ' 11' ' ' LEU . 7.1 tt -45.7 -44.31 13.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.7 p -49.51 -35.18 19.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -44.19 -40.5 5.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.931 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.599 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -74.69 -34.23 62.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.626 HD13 ' CE2' ' A' ' 87' ' ' TYR . 75.3 mt -65.66 -35.02 79.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.501 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 9.2 mtm180 -83.23 -28.36 29.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.433 ' CD1' ' HE2' ' A' ' 74' ' ' LYS . 67.5 t80 -77.83 -15.19 59.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 14.2 m-85 -80.48 -21.53 41.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.501 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 23.3 m-85 -64.5 -34.42 78.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.433 ' HE2' ' CD1' ' A' ' 71' ' ' TYR . 4.3 mtmp? -63.37 -49.83 72.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.9 p -76.8 -24.73 52.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.27 -14.49 47.65 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.529 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.5 mm -43.09 -39.98 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 69' ' ' LEU . 10.1 mt -117.24 159.29 22.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -113.27 119.5 37.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -52.76 115.08 1.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.837 HG12 ' H ' ' A' ' 83' ' ' ARG . 74.4 t -106.48 141.74 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -101.97 33.58 2.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.837 ' H ' HG12 ' A' ' 81' ' ' VAL . 19.1 mtt85 -119.05 175.67 5.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.962 ' O ' HG23 ' A' ' 86' ' ' VAL . 16.6 ttp180 -85.81 128.16 34.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 84' ' ' ARG . 10.2 mp 37.92 43.0 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.951 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.962 HG23 ' O ' ' A' ' 84' ' ' ARG . 81.8 t -128.89 107.69 16.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.626 ' CE2' HD13 ' A' ' 69' ' ' LEU . 31.4 m-85 -109.4 169.64 8.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.3 tttm -151.88 135.29 16.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 80.4 m-85 -73.67 130.29 39.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.875 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.77 -154.27 6.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.51 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.85 -25.53 20.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.769 0.319 . . . . 0.0 110.86 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -34.65 75.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.647 ' HB1' ' CZ3' ' A' ' 12' ' ' TRP . . . -75.88 177.94 6.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 20.5 p80 -162.02 174.04 13.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 96.31 -45.16 1.93 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.571 ' CZ2' ' HG3' ' A' ' 97' ' ' GLN . 46.3 p-90 -76.25 -45.53 32.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.685 0.279 . . . . 0.0 110.941 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.571 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 1.7 mt-30 -45.69 170.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.99 145.43 32.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 100' ' ' LYS . 0.7 OUTLIER -132.12 161.29 33.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 99' ' ' ASP . 1.5 mttt -34.38 148.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -151.55 177.95 9.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 79.2 p -110.77 173.25 6.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -57.02 145.99 36.63 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -47.06 1.02 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.724 2.283 . . . . 0.0 112.332 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.1 m 49.12 76.87 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.858 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.6 t -160.21 154.85 24.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.54 42.34 27.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.861 0.362 . . . . 0.0 110.865 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 4' ' ' GLY . 0.1 OUTLIER -111.49 127.35 55.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.831 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 35.74 -107.99 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.2 p -172.57 108.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 110.823 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.58 169.08 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.96 81.52 0.42 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.34 149.7 30.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.932 0.396 . . . . 0.0 110.79 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.6 p -125.14 108.74 12.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.464 ' O ' ' N ' ' A' ' 13' ' ' GLU . 94.0 m-70 -137.15 129.61 29.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.747 HD23 ' CE2' ' A' ' 51' ' ' TRP . 2.4 tm? -36.84 -63.49 0.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.546 ' HB3' ' CE2' ' A' ' 72' ' ' TYR . 26.8 p-90 -45.79 -34.96 4.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.963 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.531 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -76.84 -40.71 46.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.7 -51.57 69.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.2 p -61.48 -40.51 86.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.105 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.451 ' HE ' ' N ' ' A' ' 17' ' ' ASP . 2.1 ttp180 -65.03 -49.63 69.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.451 ' N ' ' HE ' ' A' ' 16' ' ' ARG . 32.8 t0 -52.29 -37.98 57.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.505 HD22 ' HB2' ' A' ' 25' ' ' ASN . 13.2 mt -54.41 -45.84 73.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.466 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . 13.6 mt -60.8 -42.8 98.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.6 mt -80.13 -13.32 59.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.2 m -118.82 83.77 23.67 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.654 0.74 . . . . 0.0 110.852 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -9.75 26.88 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.36 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -77.27 -29.04 53.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.78 -40.76 7.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.944 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.505 ' HB2' HD22 ' A' ' 18' ' ' LEU . 14.4 t30 -76.04 128.69 35.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.5 87.21 2.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.23 39.82 28.39 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.5 mt -92.59 -33.67 5.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 0.0 111.118 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.706 HD23 ' HA ' ' A' ' 41' ' ' VAL . 4.8 mt -134.13 172.68 12.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.47 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 3.1 mt-10 -143.61 143.11 31.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.492 ' CD2' ' HD2' ' A' ' 34' ' ' ARG . 16.3 m95 -87.5 96.13 10.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -78.45 -34.17 47.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.829 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -159.07 101.82 1.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.492 ' HD2' ' CD2' ' A' ' 31' ' ' TRP . 47.5 mmm-85 -65.81 -44.61 85.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.826 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.93 -49.15 78.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.401 ' O ' ' HE2' ' A' ' 88' ' ' LYS . 2.8 mt-30 -75.99 -28.96 58.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.8 30.83 16.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.51 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.1 mt -97.11 136.96 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 111.112 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.423 ' HD2' HD22 ' A' ' 29' ' ' LEU . 18.5 p90 -140.49 151.05 44.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -111.49 146.41 37.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.844 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.706 ' HA ' HD23 ' A' ' 29' ' ' LEU . 81.0 t -92.47 82.49 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.47 ' CG2' ' HG3' ' A' ' 30' ' ' GLU . 97.2 t -49.91 -50.08 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.168 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.2 mttm -115.94 105.43 12.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.449 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 96.9 p -77.73 -15.93 58.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -89.74 -42.71 11.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.58 -37.78 77.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 30.2 tp -59.93 -47.22 86.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.73 -47.71 58.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -50.14 -46.55 54.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.3 mmm -69.25 -41.22 77.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.747 ' CE2' HD23 ' A' ' 11' ' ' LEU . 21.4 t-105 -57.89 -54.22 49.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.476 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -46.12 -48.65 14.8 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -49.59 -39.52 35.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 0.0 110.946 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -64.81 -36.24 83.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.2 14.61 31.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.01 33.13 8.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.441 ' C ' ' OD1' ' A' ' 57' ' ' ASN . 28.1 t-20 -96.39 86.02 4.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -54.08 -23.46 13.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.422 ' C ' ' OD1' ' A' ' 57' ' ' ASN . 0.8 OUTLIER -104.72 40.55 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.875 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.512 ' CE ' ' CD1' ' A' ' 51' ' ' TRP . 40.7 tpp -92.03 131.24 37.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.0 t -151.55 149.75 29.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.136 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.449 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 5.4 t80 -38.43 -53.88 1.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -42.24 -40.87 2.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -85.78 -51.43 6.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.945 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.641 HD12 ' CD1' ' A' ' 51' ' ' TRP . 5.0 tt -44.63 -45.64 9.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 69' ' ' LEU . 26.0 p -47.8 -35.69 10.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' A' ' 68' ' ' ALA . 11.7 ptt-85 -40.69 -40.68 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.529 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -79.51 -30.6 41.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.121 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 66' ' ' SER . 80.3 mt -67.59 -38.38 83.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.502 ' HA ' ' CD2' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -85.96 -23.46 26.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -80.26 -16.3 55.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.546 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 6.3 m-85 -77.26 -30.18 54.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.915 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.564 ' CD2' ' HD2' ' A' ' 80' ' ' ARG . 24.3 m-85 -56.59 -27.79 58.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -66.77 -44.95 80.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 33.6 p -84.99 -22.57 29.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 106.79 -18.04 37.93 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.8 mm -40.52 -41.23 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.842 0.353 . . . . 0.0 111.096 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.455 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 11.4 mt -116.46 165.13 13.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.95 120.21 32.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.564 ' HD2' ' CD2' ' A' ' 73' ' ' TYR . 2.3 ttt180 -61.48 120.81 11.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.3 t -112.62 135.49 51.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.62 39.78 0.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -119.49 -178.06 3.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.509 ' O ' HG23 ' A' ' 86' ' ' VAL . 26.1 tpt180 -100.88 119.27 38.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.405 HD23 ' CD ' ' A' ' 84' ' ' ARG . 3.9 mm? 51.18 36.42 15.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 84' ' ' ARG . 55.8 t -126.5 104.11 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -103.79 169.68 8.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.401 ' HE2' ' O ' ' A' ' 36' ' ' GLN . 14.3 tttt -151.71 132.5 14.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -72.34 131.61 42.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.98 -151.03 4.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.447 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.83 -22.01 18.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.82 0.343 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -63.77 -32.03 73.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.493 ' HB1' ' CZ3' ' A' ' 12' ' ' TRP . . . -82.36 132.49 35.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -123.3 133.13 54.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 149.4 -44.29 0.73 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.461 ' CG ' ' N ' ' A' ' 97' ' ' GLN . 59.1 p-90 -84.26 -54.94 4.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.686 0.279 . . . . 0.0 110.885 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.461 ' N ' ' CG ' ' A' ' 96' ' ' TRP . 0.0 OUTLIER -48.57 147.3 2.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.88 157.09 16.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.27 156.25 17.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -104.19 171.23 7.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 62.99 122.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.6 t -172.38 -59.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 95.0 -157.52 22.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.443 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -179.17 2.73 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.26 . . . . 0.0 112.321 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.2 p -73.15 145.04 46.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.0 p -132.02 97.46 4.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 -179.945 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -67.69 111.62 4.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 0.0 110.842 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.68 -57.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.13 -102.06 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 t -47.41 136.75 9.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.887 0.375 . . . . 0.0 110.849 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.15 132.13 0.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.795 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.96 -76.75 1.32 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.534 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.4 t -164.46 127.45 2.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.866 0.365 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 m -148.76 -40.85 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -146.37 130.18 17.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.482 ' CD2' ' HB3' ' A' ' 68' ' ' ALA . 17.1 tp -53.97 -56.97 12.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.92 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.517 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 21.1 p-90 -40.59 -39.99 1.17 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.517 ' HG2' ' CH2' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -69.09 -40.98 78.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.459 ' CD1' ' N ' ' A' ' 15' ' ' VAL . 1.5 t80 -62.46 -58.49 7.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.459 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 2.3 p -61.18 -24.41 33.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.471 ' HB2' ' CE1' ' A' ' 89' ' ' PHE . 2.0 ttp180 -77.32 -41.8 39.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 21' ' ' SER . 27.0 t70 -56.24 -47.26 78.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.429 ' HB3' HD12 ' A' ' 29' ' ' LEU . 8.5 mp -48.54 -45.12 37.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.506 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 15.0 mt -62.23 -35.09 77.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.0 mt -95.58 -3.33 46.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 17' ' ' ASP . 3.2 m -125.32 83.98 60.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.724 0.773 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -4.22 13.64 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.652 2.235 . . . . 0.0 112.338 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -85.79 -26.9 25.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.07 -47.04 4.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -63.23 124.02 20.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.7 89.14 3.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 43.86 36.96 3.89 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.455 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.413 HG23 ' HB2' ' A' ' 43' ' ' LYS . 11.1 mt -94.4 -31.82 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.874 0.369 . . . . 0.0 111.143 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.429 HD12 ' HB3' ' A' ' 18' ' ' LEU . 1.0 OUTLIER -133.66 170.59 15.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -145.1 145.39 31.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.523 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 5.9 m95 -90.04 104.23 16.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -81.32 -38.72 26.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.493 ' HB2' ' CG1' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -152.89 104.27 2.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.523 ' HD3' ' CG ' ' A' ' 31' ' ' TRP . 0.8 OUTLIER -68.25 -25.46 65.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.872 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -71.44 -51.13 25.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.434 ' O ' ' CE ' ' A' ' 88' ' ' LYS . 3.5 mt-30 -89.15 -16.68 30.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.567 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 85.7 31.72 20.53 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.461 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.493 ' CG1' ' HB2' ' A' ' 33' ' ' ASP . 8.4 mm -78.62 127.22 38.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.876 0.369 . . . . 0.0 111.105 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.588 ' CZ ' ' HB2' ' A' ' 87' ' ' TYR . 51.0 p90 -137.81 146.77 43.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.451 ' HG2' ' N ' ' A' ' 41' ' ' VAL . 6.0 ttt180 -115.82 148.83 39.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.451 ' N ' ' HG2' ' A' ' 40' ' ' ARG . 97.0 t -96.27 80.17 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.8 t -49.67 -52.24 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.413 ' HB2' HG23 ' A' ' 28' ' ' ILE . 31.1 mttm -110.06 91.5 3.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.499 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 35.0 p -67.47 -26.61 66.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -76.85 -38.38 53.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.17 -30.01 48.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.1 tp -61.86 -44.39 96.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.26 -46.08 43.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.23 -46.69 62.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.5 mmm -66.28 -48.95 68.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.49 ' CD1' HD12 ' A' ' 65' ' ' LEU . 17.1 t-105 -51.59 -54.93 22.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -48.08 -44.25 25.84 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.451 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -52.03 -31.74 31.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.788 0.327 . . . . 0.0 110.929 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -73.38 -37.01 66.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -95.62 8.54 43.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 40.66 48.96 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 43.1 t30 -92.68 -44.22 8.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 0.9 OUTLIER 83.64 -34.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -102.31 34.7 2.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 52.5 tpp -87.08 133.15 33.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.3 t -149.18 146.54 27.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.113 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.499 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 7.3 t80 -38.24 -49.65 1.38 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -48.11 -41.74 27.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -81.97 -48.36 11.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.49 HD12 ' CD1' ' A' ' 51' ' ' TRP . 4.7 tt -49.1 -51.48 31.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.924 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 69' ' ' LEU . 43.0 m -43.82 -37.91 3.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -42.65 -38.79 2.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.482 ' HB3' ' CD2' ' A' ' 11' ' ' LEU . . . -78.46 -29.62 46.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 66' ' ' SER . 69.1 mt -66.67 -33.52 75.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.505 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -86.54 -21.86 26.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -84.39 -20.43 31.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.429 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 8.6 m-85 -74.02 -19.72 60.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.957 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.505 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 23.6 m-85 -64.55 -23.98 67.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.902 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -76.76 -46.92 23.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.9 p -77.14 -15.95 59.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.01 -5.82 72.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.3 mm -54.01 -41.83 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.811 0.339 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.461 HD23 ' O ' ' A' ' 88' ' ' LYS . 7.1 mt -115.52 166.76 11.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.11 122.66 37.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.34 133.61 34.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.843 HG12 ' H ' ' A' ' 83' ' ' ARG . 57.8 t -126.9 137.23 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.92 32.13 1.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.843 ' H ' HG12 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -116.6 177.89 4.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.881 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.875 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -90.06 126.46 35.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.874 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.7 mp 40.99 44.55 2.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.875 HG23 ' O ' ' A' ' 84' ' ' ARG . 83.1 t -129.64 118.44 45.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.588 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 25.4 m-85 -121.6 172.36 8.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.942 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.461 ' O ' HD23 ' A' ' 78' ' ' LEU . 7.5 tttt -151.27 141.85 22.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.471 ' CE1' ' HB2' ' A' ' 16' ' ' ARG . 95.9 m-85 -82.47 123.48 29.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.95 -146.29 0.28 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -93.87 -22.47 18.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.808 0.337 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -67.61 -28.39 67.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.464 ' HB1' ' CZ3' ' A' ' 12' ' ' TRP . . . -86.16 139.51 31.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -119.56 164.98 15.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 102.9 -49.05 0.99 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.51 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.567 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 24.6 p-90 -75.49 -46.69 30.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.775 0.322 . . . . 0.0 110.907 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.543 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 1.3 mt-30 -46.23 148.86 0.81 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.84 156.03 30.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 58.31 154.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -166.67 135.6 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -121.35 151.98 39.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 37.2 m 42.91 39.33 1.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -106.03 87.71 0.53 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 -43.72 2.43 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.657 2.238 . . . . 0.0 112.366 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 79.7 p -169.36 -46.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 172.71 176.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.507 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.38 138.3 54.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 110.838 -179.711 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.52 103.39 4.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.84 163.43 0.11 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.98 -54.37 2.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.866 0.365 . . . . 0.0 110.888 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 50.59 42.71 27.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.67 140.1 6.53 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.2 p -139.45 123.52 17.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 0.0 110.887 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.9 p -159.65 45.73 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.411 ' HB3' ' CD1' ' A' ' 12' ' ' TRP . 53.1 m-70 -133.95 135.44 43.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 14' ' ' PHE . 39.1 tp -60.96 -56.87 16.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.488 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 32.0 p-90 -40.22 -34.55 0.32 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.488 ' HG2' ' CH2' ' A' ' 12' ' ' TRP . 0.3 OUTLIER -75.18 -42.63 55.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.426 ' CD2' ' HG3' ' A' ' 54' ' ' ARG . 1.2 t80 -62.24 -54.37 41.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.7 p -60.05 -32.08 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.081 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.445 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 1.4 ttp180 -72.32 -44.31 62.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -56.45 -29.91 62.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.486 HD21 ' CE ' ' A' ' 50' ' ' MET . 12.0 mt -65.48 -39.69 92.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.46 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . 5.1 mt -65.73 -34.71 78.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.4 mt -86.74 -14.06 43.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.0 m -116.98 80.89 11.74 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.618 0.723 . . . . 0.0 110.832 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -5.41 16.15 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.652 2.235 . . . . 0.0 112.337 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -83.47 -28.09 29.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.85 -40.65 7.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.465 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . 9.6 t30 -73.69 131.28 41.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.8 t -116.48 85.41 2.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 48.79 44.81 31.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.47 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 51.4 mt -98.42 -25.91 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.358 . . . . 0.0 111.135 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.628 HD23 ' HA ' ' A' ' 41' ' ' VAL . 6.9 mt -140.53 168.41 19.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -140.79 147.04 38.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.46 ' NE1' ' HB3' ' A' ' 19' ' ' LEU . 12.2 m95 -93.38 98.08 10.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -79.64 -28.83 40.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -163.42 102.9 0.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -39.04 83.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -60.0 -51.12 71.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -78.34 -32.37 49.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.93 26.4 11.6 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.461 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.2 mt -88.35 141.86 13.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.851 0.358 . . . . 0.0 111.103 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.492 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 37.9 p90 -146.16 151.0 36.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -111.95 142.33 44.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.628 ' HA ' HD23 ' A' ' 29' ' ' LEU . 88.2 t -88.14 84.22 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.9 t -52.69 -53.09 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 37.1 mttm -111.93 95.27 5.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.579 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 77.8 p -68.04 -30.48 69.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -73.7 -47.55 38.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.13 -39.1 92.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.5 tp -54.23 -54.35 41.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.16 -49.55 71.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -49.3 -48.3 46.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.486 ' CE ' HD21 ' A' ' 18' ' ' LEU . 4.6 mmm -66.52 -50.71 62.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.642 ' CD1' HD12 ' A' ' 65' ' ' LEU . 21.0 t-105 -48.8 -57.6 6.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.01 -48.93 14.15 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -48.79 -31.87 7.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 110.945 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.426 ' HG3' ' CD2' ' A' ' 14' ' ' PHE . 5.4 mmm180 -74.21 -35.7 63.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.99 8.33 43.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 45.53 32.0 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 52.3 t-20 -75.57 -49.0 19.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 8.0 t0 83.72 -32.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 -103.22 30.39 4.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.434 ' CE ' ' CD1' ' A' ' 51' ' ' TRP . 53.3 tpp -81.25 140.79 34.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 62' ' ' TYR . 11.2 t -159.7 139.61 11.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.579 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 3.3 t80 -35.27 -41.56 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -51.98 -49.33 63.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 61' ' ' THR . 50.1 mttm -80.42 -42.63 22.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.642 HD12 ' CD1' ' A' ' 51' ' ' TRP . 1.5 tt -51.54 -48.0 63.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.3 p -45.38 -38.84 6.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.2 ptt-85 -42.98 -40.87 3.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.98 -34.24 57.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.093 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.1 mt -63.42 -43.38 97.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.573 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -81.87 -17.11 48.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.84 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -81.76 -21.93 37.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.46 ' CB ' ' HB2' ' A' ' 78' ' ' LEU . 10.9 m-85 -73.21 -26.54 61.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.573 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 21.6 m-85 -57.82 -23.86 54.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -78.28 -43.9 26.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.961 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.2 p -82.2 -8.03 59.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.43 -11.14 61.96 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.465 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.4 mm -47.06 -42.85 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 111.168 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.46 ' HB2' ' CB ' ' A' ' 72' ' ' TYR . 1.2 mp -110.31 -177.45 3.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.967 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -127.01 128.71 46.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -68.21 110.78 4.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 41.9 t -113.61 141.81 28.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.33 45.5 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.63 -172.73 2.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.0 112.02 24.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.3 mp 60.07 34.99 21.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 44.8 t -125.33 108.16 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -112.93 168.82 9.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 79' ' ' GLU . 8.8 tttt -151.95 129.56 11.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.492 ' CE2' ' CE1' ' A' ' 39' ' ' PHE . 93.6 m-85 -69.2 125.53 26.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -71.15 -150.52 0.75 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.45 -15.42 22.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -71.14 -27.18 63.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.16 136.38 38.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.074 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 29.1 p80 -131.26 128.22 39.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 142.34 -32.43 1.97 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.428 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.437 ' CG ' ' N ' ' A' ' 97' ' ' GLN . 66.1 p-90 -89.57 -51.27 5.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.762 0.315 . . . . 0.0 110.889 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.437 ' N ' ' CG ' ' A' ' 96' ' ' TRP . 0.0 OUTLIER -48.42 169.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -117.08 44.92 1.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -173.0 151.25 2.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.442 ' HG2' ' N ' ' A' ' 101' ' ' LEU . 3.6 ttmm 61.31 152.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.442 ' N ' ' HG2' ' A' ' 100' ' ' LYS . 12.6 tp -152.31 90.06 1.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.909 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.83 157.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -129.86 -93.55 0.69 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.511 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 171.97 13.45 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.714 2.276 . . . . 0.0 112.394 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.1 t -165.16 159.01 17.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.829 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 34.2 p -136.96 177.11 8.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.559 HD11 HD11 ' A' ' 65' ' ' LEU . 15.0 tp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.816 0.341 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.436 ' CZ3' ' HB1' ' A' ' 93' ' ' ALA . 15.6 p-90 -40.77 -33.11 0.26 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -44.52 33.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.529 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 0.9 OUTLIER -61.83 -54.3 44.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.445 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 7.4 p -59.0 -34.9 54.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.546 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 5.7 ttp180 -71.54 -47.12 57.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -53.29 -37.42 62.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.529 HD11 ' CZ ' ' A' ' 14' ' ' PHE . 12.3 mt -58.76 -35.0 72.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.471 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . 26.6 mt -69.7 -30.63 68.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.2 mt -96.58 -2.75 44.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 m -126.13 81.47 66.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.682 0.753 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -9.87 27.19 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.637 2.225 . . . . 0.0 112.382 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.38 -27.8 38.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.07 -40.33 7.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.431 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . 14.0 t30 -76.92 129.31 36.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.3 85.43 2.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 48.91 47.95 31.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.5 mt -103.03 -29.61 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 111.136 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.564 HD23 ' HA ' ' A' ' 41' ' ' VAL . 6.4 mt -136.02 170.35 16.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.401 ' HG3' HG21 ' A' ' 42' ' ' VAL . 10.3 mt-10 -142.7 144.88 32.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.471 ' NE1' ' HB3' ' A' ' 19' ' ' LEU . 6.3 m95 -88.83 98.52 11.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -78.04 -30.49 49.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.546 ' CG ' ' NE2' ' A' ' 36' ' ' GLN . 28.8 m-20 -158.36 110.69 2.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -39.31 66.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -66.68 -52.63 42.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.546 ' NE2' ' CG ' ' A' ' 33' ' ' ASP . 17.9 mt-30 -74.69 -34.21 62.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.76 23.19 18.94 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.461 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.6 mt -84.32 134.97 25.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.853 0.358 . . . . 0.0 111.107 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.434 ' CZ ' ' HB2' ' A' ' 87' ' ' TYR . 11.9 p90 -137.3 156.38 48.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.473 ' HG2' ' N ' ' A' ' 41' ' ' VAL . 12.2 ttt180 -115.9 151.02 36.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.564 ' HA ' HD23 ' A' ' 29' ' ' LEU . 48.6 t -101.44 79.55 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.401 HG21 ' HG3' ' A' ' 30' ' ' GLU . 63.3 t -50.93 -46.04 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -114.51 89.63 3.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 86.3 p -66.84 -22.02 66.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -80.76 -48.5 12.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.08 -32.24 73.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.9 tp -57.14 -53.6 56.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.72 -51.11 53.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.23 -46.44 12.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.41 ' CE ' HD21 ' A' ' 18' ' ' LEU . 1.7 mmm -69.47 -41.56 76.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.687 ' CD1' HD12 ' A' ' 65' ' ' LEU . 21.5 t-105 -55.97 -55.07 37.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 56' ' ' LYS . . . -46.65 -50.56 14.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.499 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.37 -34.35 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.931 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -72.57 -34.01 67.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -101.97 7.44 41.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 52' ' ' GLY . 1.8 mttm 58.04 30.82 19.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -100.07 82.62 2.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.88 -24.45 6.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.6 mtt85 -96.87 29.33 3.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.432 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 48.0 tpp -85.17 133.15 34.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.566 HG22 ' HD3' ' A' ' 64' ' ' LYS . 11.1 t -152.78 154.12 34.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -39.53 -57.29 1.48 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -40.26 -41.74 1.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.566 ' HD3' HG22 ' A' ' 61' ' ' THR . 8.6 mtpp -80.08 -53.12 7.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.687 HD12 ' CD1' ' A' ' 51' ' ' TRP . 3.0 tt -45.42 -51.33 11.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 69' ' ' LEU . 9.4 p -44.02 -40.5 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.6 ptt-85 -40.07 -38.01 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.426 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -84.91 -28.57 25.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.544 HD21 HD21 ' A' ' 11' ' ' LEU . 87.8 mt -68.82 -31.89 71.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.487 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 3.0 mmt180 -90.16 -20.4 23.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -84.72 -15.79 43.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.426 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 5.8 m-85 -76.35 -23.39 54.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.487 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 22.9 m-85 -62.24 -24.55 67.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -74.2 -39.57 63.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.3 p -88.06 -22.17 24.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 102.69 -16.81 54.33 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.417 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 7.5 mm -41.87 -41.83 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.7 mt -116.67 167.74 10.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -126.07 121.14 32.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -61.03 134.11 56.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 49.7 t -122.89 152.02 27.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.31 33.88 1.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -120.8 -179.32 3.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.6 126.13 48.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.9 mp 52.18 34.61 14.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.9 t -125.58 115.0 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 4.8 m-85 -117.64 168.54 10.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -151.15 130.95 13.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.546 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 90.2 m-85 -69.33 129.06 38.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -72.06 -151.2 1.15 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -94.2 -23.98 17.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.805 0.336 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -62.54 -34.53 77.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.436 ' HB1' ' CZ3' ' A' ' 12' ' ' TRP . . . -74.31 158.25 34.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.112 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -137.17 173.2 11.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.71 -48.15 2.3 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.522 ' CZ2' ' HG3' ' A' ' 97' ' ' GLN . 23.4 p-90 -76.52 -40.0 51.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.752 0.31 . . . . 0.0 110.946 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.522 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 1.8 mt-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.822 HD13 ' C ' ' A' ' 11' ' ' LEU . 1.7 tm? . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.838 0.351 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.572 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 35.1 p-90 -56.06 -36.21 67.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.572 ' HG2' ' CH2' ' A' ' 12' ' ' TRP . 0.7 OUTLIER -72.95 -34.57 66.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.532 ' CE1' ' HB2' ' A' ' 51' ' ' TRP . 0.9 OUTLIER -64.44 -48.3 75.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.915 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.439 ' HA ' HD12 ' A' ' 18' ' ' LEU . 3.0 p -72.24 -19.19 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -82.92 -52.0 7.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -51.16 -38.78 54.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.488 HD21 ' CE ' ' A' ' 50' ' ' MET . 18.0 mt -52.2 -42.76 63.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.469 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . 7.9 mt -62.73 -33.82 75.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.953 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mt -90.74 -14.76 31.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.0 m -114.73 80.61 6.57 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.677 0.751 . . . . 0.0 110.834 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -11.19 30.32 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.351 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.88 -25.97 43.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.47 -42.39 5.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.469 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . 11.4 t30 -70.25 130.72 42.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.45 85.42 2.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.49 45.05 22.74 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 33.6 mt -98.78 -30.56 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.927 0.394 . . . . 0.0 111.148 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.404 HD21 HD13 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -138.02 171.08 14.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 179.889 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.417 ' CG ' ' HB3' ' A' ' 40' ' ' ARG . 5.3 pt-20 -146.81 154.42 41.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.548 ' NE1' ' NH1' ' A' ' 34' ' ' ARG . 14.4 m95 -97.97 103.59 15.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -85.62 -25.93 26.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.97 96.29 0.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.548 ' NH1' ' NE1' ' A' ' 31' ' ' TRP . 1.7 tpt180 -66.1 -36.28 82.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -58.25 -47.35 83.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -85.08 -27.74 26.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.506 ' HA3' ' CH2' ' A' ' 96' ' ' TRP . . . 92.76 27.32 14.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.519 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.9 mt -90.88 142.18 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 111.155 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.559 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 34.9 p90 -148.16 150.07 33.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.417 ' HB3' ' CG ' ' A' ' 30' ' ' GLU . 35.7 ttt180 -111.39 147.49 35.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.0 t -94.14 82.97 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.0 t -51.17 -47.89 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.122 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -114.32 106.94 14.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.446 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 42.9 p -81.45 -27.89 34.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -80.53 -32.11 36.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.92 -34.81 44.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.118 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.404 HD13 HD21 ' A' ' 29' ' ' LEU . 23.6 tp -62.92 -49.47 74.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.16 -41.89 76.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -56.65 -52.09 66.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.488 ' CE ' HD21 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -63.97 -45.55 88.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.878 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.648 ' NE1' HD23 ' A' ' 11' ' ' LEU . 22.8 t-105 -56.7 -54.91 40.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.482 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -45.38 -41.44 8.77 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -60.04 -30.87 69.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.338 . . . . 0.0 110.883 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -70.17 -35.87 74.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.02 -3.47 57.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.32 30.16 11.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -100.79 142.14 32.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.69 20.3 18.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.439 ' O ' ' NZ ' ' A' ' 64' ' ' LYS . 9.5 mtt85 -137.29 30.79 2.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.482 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 41.7 tpp -81.52 139.74 34.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.459 HG22 ' CD ' ' A' ' 64' ' ' LYS . 4.9 t -166.83 140.02 3.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.446 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 4.1 t80 -35.81 -46.36 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -48.12 -46.36 34.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.459 ' CD ' HG22 ' A' ' 61' ' ' THR . 9.4 mttt -82.95 -45.85 13.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.518 HD12 ' CD1' ' A' ' 51' ' ' TRP . 6.4 tt -48.59 -44.08 36.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.0 p -51.34 -33.94 31.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.442 ' CG ' ' N ' ' A' ' 68' ' ' ALA . 1.0 OUTLIER -42.52 -44.62 4.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.834 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.577 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -72.2 -34.08 68.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.77 ' HA ' HD12 ' A' ' 78' ' ' LEU . 61.1 mt -67.13 -41.18 86.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.541 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 5.6 mmm180 -83.11 -17.58 42.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.455 ' O ' ' CD1' ' A' ' 71' ' ' TYR . 19.2 t80 -88.65 -17.8 29.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.577 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 9.1 m-85 -78.6 -14.97 59.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.947 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.541 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 23.0 m-85 -70.17 -2.63 13.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -98.5 -36.4 9.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.0 p -90.07 -19.54 24.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.132 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 102.7 -15.18 55.96 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.536 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.441 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 3.6 mm -46.14 -43.79 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.871 0.367 . . . . 0.0 111.113 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.77 HD12 ' HA ' ' A' ' 69' ' ' LEU . 8.4 mt -116.69 162.87 16.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.46 124.49 44.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -60.29 134.36 56.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 92.6 t -128.23 147.32 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.17 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -96.34 41.42 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.47 177.46 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.416 ' O ' HG23 ' A' ' 86' ' ' VAL . 22.8 tpt180 -100.49 116.13 31.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.6 mp 59.76 32.62 21.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 84' ' ' ARG . 89.5 t -125.08 106.19 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.452 ' CE2' HD13 ' A' ' 69' ' ' LEU . 13.6 m-85 -109.0 171.44 7.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -151.76 128.08 10.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.559 ' CE2' ' CE1' ' A' ' 39' ' ' PHE . 83.3 m-85 -68.61 133.5 48.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.6 -154.4 6.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.512 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.82 -21.17 22.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.33 . . . . 0.0 110.922 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.03 -34.13 77.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.95 158.22 36.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -140.83 172.27 12.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 95.26 -53.11 1.83 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.506 ' CH2' ' HA3' ' A' ' 37' ' ' GLY . 34.5 p-90 -72.81 -39.88 66.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.678 0.275 . . . . 0.0 110.911 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.474 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 3.5 mt-30 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.507 HD11 HD11 ' A' ' 65' ' ' LEU . 21.2 tp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.792 0.33 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.538 ' CZ3' ' HB1' ' A' ' 93' ' ' ALA . 20.6 p-90 -40.83 -41.44 1.58 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.509 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.3 OUTLIER -66.91 -43.13 84.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.883 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.456 ' CD1' ' N ' ' A' ' 15' ' ' VAL . 1.6 t80 -60.75 -58.39 8.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.485 ' HA ' HD12 ' A' ' 18' ' ' LEU . 3.1 p -57.19 -26.51 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.09 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.409 ' NH2' ' OD2' ' A' ' 17' ' ' ASP . 7.9 ttp180 -77.3 -53.16 8.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.409 ' OD2' ' NH2' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -49.01 -29.55 5.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 15' ' ' VAL . 9.1 mt -64.68 -45.73 85.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.41 HD22 ' CE2' ' A' ' 31' ' ' TRP . 6.6 mt -59.21 -36.85 76.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mt -84.39 -11.76 55.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 m -118.96 80.58 18.41 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.682 0.753 . . . . 0.0 110.835 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -5.34 15.97 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.702 2.268 . . . . 0.0 112.321 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -85.08 -26.54 26.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.08 -41.3 6.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 26' ' ' CYS . 6.4 t30 -72.79 132.89 44.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.442 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.5 OUTLIER -116.21 86.01 2.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.7 32.6 8.34 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.439 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.6 mt -84.02 -31.97 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.361 . . . . 0.0 111.121 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 mt -134.61 170.9 15.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -141.43 147.45 37.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.41 ' CE2' HD22 ' A' ' 19' ' ' LEU . 9.1 m95 -92.2 92.76 8.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -71.97 -33.31 68.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -160.91 110.79 1.7 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.5 mmm-85 -71.02 -42.41 69.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -60.38 -52.39 65.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -75.8 -34.67 60.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.451 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 95.36 26.65 11.79 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.4 mt -87.05 137.72 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 111.135 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.412 ' CZ ' ' HB2' ' A' ' 87' ' ' TYR . 37.2 p90 -137.92 153.12 49.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.8 ttt85 -114.1 145.08 42.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.9 t -90.13 82.69 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.2 t -54.02 -48.92 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -117.12 94.09 4.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.414 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 51.8 p -68.2 -14.42 62.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -87.64 -46.72 9.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.87 -37.05 81.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 35.9 tp -55.72 -49.59 72.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.39 -50.84 23.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -48.03 -47.29 33.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.1 mmm -66.85 -48.77 67.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.47 ' CD1' HD12 ' A' ' 65' ' ' LEU . 20.9 t-105 -50.43 -55.24 16.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.16 -47.49 33.46 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.478 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -48.65 -36.2 15.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.772 0.32 . . . . 0.0 110.866 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -69.18 -36.42 77.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.91 -2.73 58.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.56 32.84 15.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.869 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.484 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 43.2 t-20 -79.81 -48.37 13.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.932 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 3.4 t0 83.46 -22.42 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.6 mmt85 -108.37 28.99 7.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 50.7 tpp -81.29 139.14 35.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 64' ' ' LYS . 9.9 t -157.14 137.81 13.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.196 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 61' ' ' THR . 4.1 t80 -35.4 -41.87 0.19 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.08 -47.3 68.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 61' ' ' THR . 30.3 mttm -79.7 -43.21 23.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.507 HD11 HD11 ' A' ' 11' ' ' LEU . 6.6 tt -52.93 -49.33 66.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.9 p -44.89 -35.89 3.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.407 ' CG ' ' N ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -44.69 -42.55 7.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.407 ' N ' ' CG ' ' A' ' 67' ' ' ARG . . . -75.96 -35.98 59.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.6 mt -61.51 -41.67 97.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.555 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -81.62 -18.97 42.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.848 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -88.41 -14.48 37.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.435 ' CD1' ' HB ' ' A' ' 77' ' ' ILE . 4.3 m-85 -77.28 -21.97 52.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.555 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 24.4 m-85 -62.34 -20.22 64.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.89 -43.6 24.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.855 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 37.4 p -82.16 -15.75 52.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.131 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 95.84 -13.78 65.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.435 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 8.4 mm -45.21 -45.48 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.852 0.358 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 78' ' ' LEU . 12.7 mt -116.64 161.81 18.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.405 ' O ' HG23 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -116.88 122.39 44.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.45 ' HD2' ' CD2' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -58.78 118.44 5.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 79' ' ' GLU . 42.0 t -110.84 144.22 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.54 37.8 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -115.54 -170.3 1.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.621 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -100.79 117.8 35.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.3 mm? 45.51 42.35 7.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 84' ' ' ARG . 49.6 t -129.32 113.39 27.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.412 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 7.6 m-85 -112.97 168.4 9.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -147.21 132.89 18.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.909 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -71.26 129.94 40.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -75.27 -152.73 3.51 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.447 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.2 -16.39 24.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.797 0.332 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -69.89 -25.79 63.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.538 ' HB1' ' CZ3' ' A' ' 12' ' ' TRP . . . -84.76 135.04 34.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 20.1 p80 -122.74 143.02 50.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 124.79 -39.79 2.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.498 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.469 ' CZ2' ' HG3' ' A' ' 97' ' ' GLN . 42.3 p-90 -82.71 -43.15 17.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.665 0.269 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.469 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 1.2 mt-30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.507 HD23 ' CD2' ' A' ' 51' ' ' TRP . 1.1 tm? . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.78 0.324 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.548 ' HB3' ' CE2' ' A' ' 72' ' ' TYR . 13.9 p-90 -45.45 -38.14 5.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.534 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.5 OUTLIER -73.45 -39.9 64.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.434 ' CD1' ' N ' ' A' ' 15' ' ' VAL . 1.8 t80 -56.67 -57.35 12.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.434 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 2.7 p -60.93 -42.33 92.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.431 ' HE ' ' N ' ' A' ' 17' ' ' ASP . 0.3 OUTLIER -60.33 -43.23 96.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 21' ' ' SER . 14.0 t70 -52.87 -51.15 62.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.414 ' CB ' ' HB2' ' A' ' 25' ' ' ASN . 7.8 mp -44.22 -45.12 8.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.527 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 68.3 mt -60.23 -39.94 88.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.9 mt -91.48 -5.77 53.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.947 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 17' ' ' ASP . 3.6 m -123.29 82.42 52.26 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.678 0.751 . . . . 0.0 110.855 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -9.89 27.21 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.279 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -79.78 -26.95 40.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.842 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.32 -46.11 4.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.414 ' HB2' ' CB ' ' A' ' 18' ' ' LEU . 45.0 t30 -64.29 121.07 13.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -115.59 86.55 2.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.03 36.06 19.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 29.6 mt -93.28 -28.88 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 111.138 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.466 HD23 ' HA ' ' A' ' 41' ' ' VAL . 2.5 mt -135.98 177.08 8.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.454 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 4.2 mt-10 -148.63 148.41 30.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.527 ' CZ2' HD13 ' A' ' 19' ' ' LEU . 10.8 m95 -95.18 95.83 8.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -73.58 -36.83 65.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.27 96.64 0.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -58.86 -44.12 90.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.43 -50.17 68.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -79.55 -23.0 43.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.574 ' HA3' ' CH2' ' A' ' 96' ' ' TRP . . . 85.12 28.33 31.25 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.464 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 36.3 mt -92.26 134.95 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.855 0.359 . . . . 0.0 111.173 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.402 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 33.1 p90 -137.26 150.39 47.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.464 ' HG2' ' N ' ' A' ' 41' ' ' VAL . 35.0 ttt180 -112.17 147.8 35.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.466 ' HA ' HD23 ' A' ' 29' ' ' LEU . 70.3 t -94.45 81.93 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.454 ' CG2' ' HG3' ' A' ' 30' ' ' GLU . 97.9 t -49.07 -49.31 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.5 mttm -116.62 107.78 15.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 83.0 p -77.41 -24.44 50.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -80.96 -46.81 14.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.32 -39.87 92.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 30.0 tp -55.99 -53.72 53.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.491 ' HA ' HD13 ' A' ' 65' ' ' LEU . . . -65.54 -44.16 87.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.068 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -47.0 75.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -37.23 80.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.507 ' CD2' HD23 ' A' ' 11' ' ' LEU . 24.2 t-105 -63.94 -49.26 73.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.483 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -51.13 -45.81 51.38 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -51.63 -33.53 33.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.84 0.352 . . . . 0.0 110.94 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -72.01 -35.82 69.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.61 10.13 41.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 54.49 29.11 10.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -97.56 84.49 3.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.33 -18.34 2.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.8 mmt180 -102.63 31.05 4.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.483 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 38.2 tpp -81.45 132.42 35.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.6 t -150.11 146.04 26.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.135 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -40.25 -42.69 1.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -50.69 -43.05 57.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -83.84 -43.48 15.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.491 HD13 ' HA ' ' A' ' 48' ' ' ALA . 8.6 tt -53.41 -35.59 60.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.2 p -59.39 -36.44 75.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.45 ' CG ' ' N ' ' A' ' 68' ' ' ALA . 1.3 ptt180 -43.1 -45.21 5.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.45 ' N ' ' CG ' ' A' ' 67' ' ' ARG . . . -72.27 -34.23 68.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.73 -37.34 87.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -87.06 -19.08 29.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -84.15 -16.19 44.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.548 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 6.8 m-85 -77.5 -21.89 52.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.944 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.487 ' CE1' ' N ' ' A' ' 80' ' ' ARG . 24.0 m-85 -64.86 -16.91 63.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -80.11 -40.05 28.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.2 p -87.71 -25.42 23.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.17 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.404 ' C ' ' HB2' ' A' ' 92' ' ' ASN . . . 109.9 -18.4 29.02 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.439 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 12.8 mm -39.7 -47.37 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.819 0.342 . . . . 0.0 111.119 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 78' ' ' LEU . 10.3 mt -112.07 169.43 8.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -130.72 113.39 14.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.487 ' N ' ' CE1' ' A' ' 73' ' ' TYR . 13.9 ttt180 -50.43 128.67 20.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 82' ' ' ASP . 59.9 t -115.67 152.49 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.406 ' N ' HG12 ' A' ' 81' ' ' VAL . 0.5 OUTLIER -92.72 34.24 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.403 ' HD3' ' CG1' ' A' ' 81' ' ' VAL . 1.1 mpt_? -129.17 167.59 17.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.416 ' O ' HG23 ' A' ' 86' ' ' VAL . 73.6 ttt180 -92.53 136.22 33.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.8 mp 48.7 27.63 1.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 84' ' ' ARG . 29.9 t -124.26 104.83 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -109.86 169.31 8.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -149.71 138.8 21.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.402 ' CE2' ' CE1' ' A' ' 39' ' ' PHE . 96.5 m-85 -78.4 133.11 37.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -81.69 -148.79 6.72 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.478 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.78 -24.92 18.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.79 0.329 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.404 ' HB2' ' C ' ' A' ' 76' ' ' GLY . 0.9 OUTLIER -61.52 -29.14 69.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -82.97 160.15 22.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.082 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 24.2 p80 -147.75 170.31 17.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 101.08 -44.55 1.54 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.574 ' CH2' ' HA3' ' A' ' 37' ' ' GLY . 48.3 p-90 -80.88 -41.5 23.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.722 0.296 . . . . 0.0 110.932 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.426 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.8 tp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.824 0.345 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.569 ' CZ2' ' HG3' ' A' ' 13' ' ' GLU . 15.1 p-90 -40.51 -39.34 1.0 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.569 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.4 OUTLIER -72.83 -41.77 64.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.422 ' CD2' ' N ' ' A' ' 15' ' ' VAL . 2.1 t80 -57.78 -58.86 6.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.422 ' N ' ' CD2' ' A' ' 14' ' ' PHE . 4.8 p -57.77 -42.31 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.559 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 4.3 ttp180 -63.45 -40.26 96.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -59.43 -34.22 72.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.495 HD21 ' CE ' ' A' ' 50' ' ' MET . 11.2 mt -60.97 -42.05 97.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.458 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . 9.0 mt -61.77 -40.59 95.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -81.27 -10.73 59.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.7 m -120.55 80.64 30.99 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.611 0.72 . . . . 0.0 110.834 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -6.78 19.4 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.252 . . . . 0.0 112.33 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -82.79 -28.32 30.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.92 -39.58 8.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.494 ' HB2' HD22 ' A' ' 18' ' ' LEU . 7.4 t30 -74.7 132.28 41.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.422 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.5 OUTLIER -116.48 85.02 2.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 48.9 36.11 19.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.485 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.4 mt -87.78 -31.12 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.854 0.359 . . . . 0.0 111.145 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.669 HD23 ' HA ' ' A' ' 41' ' ' VAL . 4.4 mt -139.29 171.26 14.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.455 ' CG ' ' HB3' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -145.39 149.54 34.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.458 ' NE1' ' HB3' ' A' ' 19' ' ' LEU . 31.6 m95 -89.2 97.33 11.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.976 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -73.3 -28.34 62.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.71 105.06 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -39.28 85.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.416 ' N ' ' OE1' ' A' ' 35' ' ' GLU . 1.4 mp0 -59.82 -54.3 47.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -76.5 -30.37 57.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.505 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 93.14 28.32 12.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.464 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.8 mt -91.58 142.71 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.359 . . . . 0.0 111.138 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.754 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 53.0 p90 -146.96 154.06 40.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.455 ' HB3' ' CG ' ' A' ' 30' ' ' GLU . 45.9 ttt180 -117.17 149.31 40.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.669 ' HA ' HD23 ' A' ' 29' ' ' LEU . 60.8 t -95.7 87.21 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.4 t -54.05 -44.78 63.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -118.44 93.56 4.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.1 p -68.55 -25.11 64.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -79.11 -38.63 35.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.28 -36.39 61.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 23.0 tp -56.54 -51.0 70.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.34 -49.91 51.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -47.88 -46.58 31.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.495 ' CE ' HD21 ' A' ' 18' ' ' LEU . 2.5 mmm -67.86 -45.67 73.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.61 ' CD1' HD12 ' A' ' 65' ' ' LEU . 20.6 t-105 -52.38 -56.0 17.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.63 -39.86 39.06 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.533 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -54.5 -35.58 63.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.32 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -70.8 -35.18 72.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.828 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -94.62 4.87 53.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.8 mttt 44.4 49.22 8.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.484 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 45.1 t-20 -93.65 -46.95 7.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER 83.59 -34.06 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.1 mpp_? -96.94 22.7 8.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 54.6 tpp -75.83 144.92 41.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 64' ' ' LYS . 9.9 t -165.86 141.41 4.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.162 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 61' ' ' THR . 2.4 t80 -37.41 -42.49 0.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -51.67 -46.46 63.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 61' ' ' THR . 22.3 mttm -82.16 -44.07 16.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.61 HD12 ' CD1' ' A' ' 51' ' ' TRP . 2.6 tt -51.45 -47.6 63.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.4 p -43.71 -37.01 2.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.6 ptt-85 -42.86 -41.11 3.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.31 -34.85 55.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.143 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.6 mt -62.87 -33.45 75.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.477 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -89.7 -24.08 21.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -80.78 -13.89 58.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.438 ' CD1' ' HB ' ' A' ' 77' ' ' ILE . 5.9 m-85 -76.58 -27.36 55.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.477 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 24.1 m-85 -61.07 -18.53 58.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -78.66 -32.11 47.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.448 ' O ' ' CG ' ' A' ' 92' ' ' ASN . 43.0 p -101.2 -6.93 23.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.35 -17.86 51.9 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.516 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.438 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 5.5 mm -38.45 -45.49 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.835 0.35 . . . . 0.0 111.161 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.9 mt -114.35 162.59 16.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 81' ' ' VAL . 0.4 OUTLIER -117.02 117.68 30.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -47.19 126.41 9.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.567 HG11 ' O ' ' A' ' 86' ' ' VAL . 22.0 t -118.91 141.2 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -103.0 32.72 3.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.502 ' H ' HG12 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -118.68 -172.75 2.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.44 ' O ' HG23 ' A' ' 86' ' ' VAL . 13.6 tpt180 -102.21 118.84 37.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.0 mp 54.08 28.1 8.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.567 ' O ' HG11 ' A' ' 81' ' ' VAL . 55.6 t -115.8 107.6 23.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.538 ' HA ' HG21 ' A' ' 81' ' ' VAL . 45.1 m-85 -113.35 169.44 8.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.3 tttm -151.79 135.14 16.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.754 ' CE2' ' CE1' ' A' ' 39' ' ' PHE . 97.6 m-85 -75.66 130.76 39.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -76.73 -153.33 5.1 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -88.15 -27.02 22.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.793 0.33 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 75' ' ' THR . 1.1 m-80 -61.19 -32.16 71.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.65 174.78 5.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -163.73 167.18 21.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 102.41 -41.96 2.01 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.503 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.505 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 57.7 p-90 -82.93 -39.66 21.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.737 0.303 . . . . 0.0 110.911 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 14' ' ' PHE . 12.1 tp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.783 0.325 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.541 ' CE2' ' HG3' ' A' ' 13' ' ' GLU . 33.0 p-90 -42.79 -29.83 0.34 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.541 ' HG3' ' CE2' ' A' ' 12' ' ' TRP . 2.2 mt-10 -83.21 -35.34 25.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.575 ' CE1' ' HB2' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -66.32 -48.27 70.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p -71.73 -36.44 59.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -62.65 -42.71 99.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 21' ' ' SER . 23.8 t70 -54.11 -54.07 44.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.464 ' CD2' HD12 ' A' ' 28' ' ' ILE . 7.8 mp -43.23 -43.65 4.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.443 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . 86.4 mt -61.86 -35.73 79.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.4 mt -97.48 -2.78 41.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.962 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 17' ' ' ASP . 2.6 m -122.57 81.44 47.49 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.669 0.747 . . . . 0.0 110.827 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -3.52 12.2 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.703 2.269 . . . . 0.0 112.314 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -88.32 -27.49 21.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.1 -44.77 5.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -65.36 124.32 21.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.04 86.3 2.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.47 28.57 4.9 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.464 HD12 ' CD2' ' A' ' 18' ' ' LEU . 7.6 mt -84.25 -28.8 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.89 0.376 . . . . 0.0 111.126 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.0 mt -139.08 172.49 12.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.965 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.06 147.56 30.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.443 ' NE1' ' HB3' ' A' ' 19' ' ' LEU . 7.2 m95 -90.87 101.43 14.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -74.29 -38.07 63.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.33 104.54 1.85 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 48.5 mmm-85 -62.59 -24.43 67.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.67 -51.61 10.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.411 ' HB2' HD12 ' A' ' 38' ' ' ILE . 5.4 mt-30 -79.27 -14.87 58.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.18 22.11 76.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.472 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.411 HD12 ' HB2' ' A' ' 36' ' ' GLN . 15.0 mt -84.39 131.65 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 111.102 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.551 ' CZ ' ' HB2' ' A' ' 87' ' ' TYR . 32.5 p90 -130.38 155.93 45.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.402 ' HG2' ' N ' ' A' ' 41' ' ' VAL . 24.4 ttt180 -116.56 154.94 29.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.41 ' CG1' ' HA ' ' A' ' 44' ' ' SER . 94.3 t -102.06 83.73 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.1 t -52.95 -49.17 50.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.106 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -115.35 87.39 2.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.41 ' HA ' ' CG1' ' A' ' 41' ' ' VAL . 44.5 p -63.14 -11.01 17.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -92.21 -47.81 7.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.54 -24.6 62.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.2 tp -65.1 -44.63 88.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.926 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.94 -45.68 26.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.44 -44.33 62.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -68.98 -47.87 64.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.575 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 17.7 t-105 -53.31 -55.2 26.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.453 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -48.54 -42.08 26.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -54.86 -31.62 59.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.768 0.318 . . . . 0.0 110.927 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.5 mmm-85 -78.31 -34.59 48.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.524 ' HG3' ' CZ2' ' A' ' 51' ' ' TRP . 0.5 OUTLIER -95.77 5.96 50.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.63 31.09 19.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.425 ' C ' ' OD1' ' A' ' 57' ' ' ASN . 30.5 t-20 -100.37 82.6 2.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -51.55 -22.15 3.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -99.49 27.99 4.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.453 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 32.8 tpp -78.68 131.59 36.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.4 t -151.28 145.43 25.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -42.46 -35.53 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -57.97 -41.06 82.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -86.57 -40.26 15.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.546 HD12 ' CD1' ' A' ' 51' ' ' TRP . 3.0 tt -57.17 -43.2 82.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 52.5 p -53.73 -29.05 37.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -50.07 -41.61 48.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.87 -36.41 67.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.698 HD13 ' CE2' ' A' ' 87' ' ' TYR . 84.7 mt -60.9 -42.17 97.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.6 mmm-85 -76.99 -20.26 56.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -87.99 -14.55 38.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.457 ' CD1' ' HB ' ' A' ' 77' ' ' ILE . 4.7 m-85 -78.18 -16.0 58.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.518 ' CD2' ' HD2' ' A' ' 80' ' ' ARG . 24.1 m-85 -71.86 -13.33 61.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.929 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -85.27 -35.98 21.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.6 p -91.23 -18.33 24.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.169 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.81 -2.84 60.42 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.457 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 4.6 mm -55.42 -44.17 74.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.865 0.364 . . . . 0.0 111.128 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 69' ' ' LEU . 9.6 mt -114.73 165.21 13.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.412 ' O ' HG23 ' A' ' 81' ' ' VAL . 11.5 mt-10 -124.43 111.89 16.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.518 ' HD2' ' CD2' ' A' ' 73' ' ' TYR . 1.3 ttt180 -48.0 133.35 14.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 79' ' ' GLU . 38.9 t -124.74 141.31 45.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.18 43.32 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.404 ' CG ' HH11 ' A' ' 83' ' ' ARG . 0.3 OUTLIER -135.06 173.47 11.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.494 ' O ' HG23 ' A' ' 86' ' ' VAL . 61.8 ttt180 -103.16 131.29 50.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.405 HD13 ' HG2' ' A' ' 84' ' ' ARG . 4.8 mp 56.44 34.07 23.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 84' ' ' ARG . 85.3 t -136.46 114.96 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.698 ' CE2' HD13 ' A' ' 69' ' ' LEU . 8.4 m-85 -118.82 173.81 6.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.406 ' HE2' ' O ' ' A' ' 36' ' ' GLN . 22.6 tttt -151.84 132.62 14.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -74.88 124.79 27.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.25 -147.57 0.24 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.507 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.5 -25.5 18.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -61.54 -35.07 76.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.34 153.06 44.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -138.33 167.74 21.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.68 -42.16 2.8 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.524 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.535 ' CZ2' ' HG3' ' A' ' 97' ' ' GLN . 35.9 p-90 -75.03 -38.38 61.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.707 0.289 . . . . 0.0 110.956 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.535 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 4.8 mt-30 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.603 HD21 HD21 ' A' ' 69' ' ' LEU . 6.9 tp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.808 0.337 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.512 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 22.8 p-90 -40.62 -39.68 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.512 ' HG2' ' CH2' ' A' ' 12' ' ' TRP . 0.4 OUTLIER -70.37 -40.66 73.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.7 t80 -63.82 -54.81 29.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.9 p -62.49 -37.17 78.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.49 ' HE ' ' N ' ' A' ' 17' ' ' ASP . 1.0 OUTLIER -64.26 -41.43 96.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.49 ' N ' ' HE ' ' A' ' 16' ' ' ARG . 8.3 t0 -54.93 -51.13 67.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.423 ' HB3' HD12 ' A' ' 29' ' ' LEU . 7.3 mp -45.58 -44.46 12.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.479 HD13 ' CH2' ' A' ' 31' ' ' TRP . 24.9 mt -58.53 -38.48 77.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mt -93.24 -9.77 37.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 17' ' ' ASP . 2.1 m -114.08 81.24 6.09 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.643 0.735 . . . . 0.0 110.825 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -5.43 16.21 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.655 2.237 . . . . 0.0 112.317 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -87.06 -24.6 24.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.39 -45.93 4.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -62.22 120.73 11.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.2 87.34 2.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 48.59 36.36 18.01 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.449 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.0 mt -98.45 -26.66 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 111.115 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.423 HD12 ' HB3' ' A' ' 18' ' ' LEU . 7.2 mt -142.01 168.36 19.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.466 ' CG ' ' HB3' ' A' ' 40' ' ' ARG . 0.6 OUTLIER -146.77 153.97 40.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.479 ' CH2' HD13 ' A' ' 19' ' ' LEU . 8.9 m95 -95.6 114.75 26.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -94.84 -17.16 22.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -172.72 105.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.438 ' HD3' ' CG ' ' A' ' 31' ' ' TRP . 1.2 mmt85 -70.41 -34.01 72.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -63.06 -57.17 11.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.37 -31.13 48.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.0 25.41 14.6 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.486 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.2 mt -80.48 134.68 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.907 0.384 . . . . 0.0 111.135 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.455 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 33.7 p90 -136.58 155.86 49.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.466 ' HB3' ' CG ' ' A' ' 30' ' ' GLU . 27.7 ttt180 -121.46 145.2 48.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.446 ' N ' ' HG2' ' A' ' 40' ' ' ARG . 52.4 t -92.33 90.22 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.0 t -59.57 -48.92 85.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.472 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 43.9 mttm -111.02 90.33 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.479 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 90.6 p -64.57 -33.11 75.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -76.83 -38.14 54.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.472 ' HB3' ' HB3' ' A' ' 43' ' ' LYS . . . -73.36 -37.21 66.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 24.3 tp -56.76 -50.46 72.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.32 -52.23 49.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -45.48 -48.23 13.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.7 mmm -67.21 -44.54 79.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.666 ' CD1' HD12 ' A' ' 65' ' ' LEU . 23.1 t-105 -54.86 -54.48 41.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.36 -42.22 33.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.42 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -52.04 -34.58 43.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.777 0.323 . . . . 0.0 110.916 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.0 -33.8 63.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.24 10.49 39.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.8 mttt 43.69 29.48 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.503 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 52.0 t30 -69.9 -49.85 48.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 5.3 t0 83.73 -33.42 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -106.73 28.8 7.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 47.6 tpp -77.95 137.58 38.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 62' ' ' TYR . 1.4 t -154.39 140.9 18.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.173 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.479 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 6.5 t80 -37.19 -41.98 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.907 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -50.86 -46.24 60.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -83.59 -43.11 16.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.666 HD12 ' CD1' ' A' ' 51' ' ' TRP . 2.7 tt -51.39 -48.73 62.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.967 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.0 m -45.3 -36.58 4.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.446 ' CG ' ' N ' ' A' ' 68' ' ' ALA . 2.1 ptm180 -41.89 -44.8 3.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.832 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.446 ' N ' ' CG ' ' A' ' 67' ' ' ARG . . . -73.5 -34.63 65.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.603 HD21 HD21 ' A' ' 11' ' ' LEU . 51.9 mt -63.18 -38.53 91.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.932 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.577 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 4.2 mmt-85 -84.09 -13.85 51.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -92.22 -16.8 25.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.459 ' HD2' HD12 ' A' ' 78' ' ' LEU . 9.5 m-85 -75.73 -15.91 60.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.919 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.577 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 20.6 m-85 -70.77 -17.22 62.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.942 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -86.93 -29.64 21.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 37.9 p -96.37 -8.13 33.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.42 -17.22 49.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.497 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.0 mm -43.51 -46.94 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.935 0.397 . . . . 0.0 111.155 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.459 HD12 ' HD2' ' A' ' 72' ' ' TYR . 12.5 mt -113.81 169.36 9.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.15 124.65 43.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.505 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -62.41 128.43 35.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.8 t -124.71 140.67 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -85.88 25.86 1.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.448 ' HD3' HG11 ' A' ' 86' ' ' VAL . 2.3 mtp85 -109.85 174.21 5.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -102.33 129.61 48.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.1 mp 54.0 32.44 15.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.963 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.448 HG11 ' HD3' ' A' ' 83' ' ' ARG . 51.5 t -130.88 121.17 49.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.1 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.425 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 6.4 m-85 -125.0 170.62 10.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.5 tttm -148.94 138.54 21.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 99.3 m-85 -79.03 127.92 32.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -74.35 -146.74 1.17 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.542 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.06 -19.16 20.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.777 0.322 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -67.67 -32.15 72.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.57 164.82 26.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -156.76 146.01 20.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 124.29 -40.24 1.97 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.52 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.541 ' CD2' ' N ' ' A' ' 97' ' ' GLN . 62.5 p-90 -81.28 -52.95 6.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.742 0.306 . . . . 0.0 110.944 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.541 ' N ' ' CD2' ' A' ' 96' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.513 HD23 ' CD2' ' A' ' 51' ' ' TRP . 1.8 tm? . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 72' ' ' TYR . 14.6 p-90 -45.22 -35.94 3.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.509 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.9 OUTLIER -75.4 -36.42 60.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.893 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.499 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 2.9 t80 -63.97 -55.7 20.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.437 ' HA ' HD12 ' A' ' 18' ' ' LEU . 5.4 p -58.9 -38.56 73.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.556 ' HE ' ' N ' ' A' ' 17' ' ' ASP . 2.6 ttp180 -68.59 -54.65 15.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.556 ' N ' ' HE ' ' A' ' 16' ' ' ARG . 14.2 t70 -47.44 -38.48 13.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.499 HD11 ' CZ ' ' A' ' 14' ' ' PHE . 9.9 mt -55.9 -39.41 71.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.483 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 8.3 mt -64.92 -41.59 95.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.2 mt -80.37 -15.71 56.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.0 m -114.98 81.61 7.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 110.824 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -9.78 26.95 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.648 2.232 . . . . 0.0 112.377 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -79.5 -29.38 41.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.02 -38.28 8.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.421 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . 17.6 t30 -77.49 128.3 33.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.32 87.09 2.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.59 43.88 37.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.511 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.6 mt -96.18 -31.38 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 111.122 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 41' ' ' VAL . 4.2 mt -135.18 170.5 15.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.469 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 0.7 OUTLIER -137.96 142.52 40.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.483 ' CE2' ' HB3' ' A' ' 19' ' ' LEU . 8.7 m95 -90.84 92.86 8.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -74.77 -31.19 61.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -162.4 105.53 1.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -41.43 77.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.64 -50.66 71.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -75.67 -35.13 60.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.947 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.445 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 96.73 28.57 8.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.494 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 45.5 mt -91.0 135.28 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.905 0.383 . . . . 0.0 111.133 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -138.09 150.31 46.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -111.45 144.98 39.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.838 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.421 ' HA ' HD23 ' A' ' 29' ' ' LEU . 97.8 t -89.51 81.18 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.469 ' CG2' ' HG3' ' A' ' 30' ' ' GLU . 99.7 t -50.93 -53.91 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.415 ' CB ' ' HB3' ' A' ' 46' ' ' ALA . 31.8 mttm -114.35 92.66 4.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.6 p -64.97 -29.89 70.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -79.09 -39.13 34.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.415 ' HB3' ' CB ' ' A' ' 43' ' ' LYS . . . -70.25 -37.04 74.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.088 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 27.6 tp -60.57 -46.91 88.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.3 -48.33 61.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -50.7 -47.05 59.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.467 ' CE ' HD21 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -69.1 -43.24 74.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.846 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.513 ' CD2' HD23 ' A' ' 11' ' ' LEU . 26.7 t-105 -57.12 -49.22 76.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.48 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -50.04 -49.02 37.62 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -49.85 -35.69 24.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.329 . . . . 0.0 110.909 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -69.91 -34.76 73.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.79 14.41 32.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 52.0 31.86 9.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.443 ' OD1' ' C ' ' A' ' 59' ' ' ARG . 32.1 t-20 -96.9 81.68 3.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -51.09 -22.71 2.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.443 ' C ' ' OD1' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -105.11 40.04 1.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.902 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.48 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 42.0 tpp -87.64 131.39 34.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.3 t -151.54 150.72 30.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.149 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -42.29 -38.31 1.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -54.29 -41.18 68.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -87.67 -41.48 13.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.432 HD12 ' CD1' ' A' ' 51' ' ' TRP . 5.9 tt -54.82 -41.62 70.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.4 p -54.82 -31.44 59.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.14 -38.43 5.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.496 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -79.29 -33.97 42.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.066 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.21 -43.26 99.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.435 ' HA ' ' CD2' ' A' ' 73' ' ' TYR . 2.0 mmt180 -79.79 -24.13 41.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.561 ' O ' ' CD1' ' A' ' 71' ' ' TYR . 26.2 t80 -84.19 -7.82 59.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 12' ' ' TRP . 6.9 m-85 -85.44 -17.36 36.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.573 ' CE1' ' HB3' ' A' ' 78' ' ' LEU . 39.8 m-85 -77.48 -11.17 59.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -77.01 -44.0 32.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.924 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.2 p -88.73 -30.31 19.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.425 ' C ' ' HB2' ' A' ' 92' ' ' ASN . . . 118.88 -3.54 14.61 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.64 HD13 ' HB3' ' A' ' 92' ' ' ASN . 21.5 mm -49.71 -48.73 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 111.122 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.573 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 11.8 mt -111.82 164.21 13.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.469 ' O ' HG23 ' A' ' 81' ' ' VAL . 8.8 mt-10 -120.27 111.61 18.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.402 ' N ' ' CE1' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -45.07 113.33 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 79' ' ' GLU . 45.2 t -103.08 145.04 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -102.89 38.49 1.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.53 -176.9 3.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.808 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -95.66 118.48 32.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.885 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.6 mm? 45.9 41.01 7.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 84' ' ' ARG . 97.4 t -131.04 110.82 18.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -108.27 172.12 7.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -151.93 137.41 17.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 93.9 m-85 -77.68 132.86 38.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.844 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.37 -146.71 3.78 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.445 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.7 pttt -95.43 -25.23 16.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.798 0.332 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.64 ' HB3' HD13 ' A' ' 77' ' ' ILE . 0.9 OUTLIER -59.19 -37.02 76.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.457 ' HB1' ' CZ3' ' A' ' 12' ' ' TRP . . . -71.78 177.5 4.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -162.54 177.68 9.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.96 -42.65 2.86 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.493 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.445 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 43.7 p-90 -83.15 -42.1 17.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.731 0.301 . . . . 0.0 110.925 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.434 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.557 HD23 ' C ' ' A' ' 11' ' ' LEU . 7.1 tt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.79 0.329 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.591 ' CZ2' ' HG3' ' A' ' 13' ' ' GLU . 28.5 p-90 -40.02 -32.3 0.16 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.591 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -82.39 -37.55 25.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.476 ' CD2' ' N ' ' A' ' 15' ' ' VAL . 2.3 t80 -57.05 -60.87 2.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.476 ' N ' ' CD2' ' A' ' 14' ' ' PHE . 3.0 p -60.92 -39.7 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.428 ' HE ' ' N ' ' A' ' 17' ' ' ASP . 0.5 OUTLIER -58.23 -41.66 84.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 21' ' ' SER . 7.1 t70 -53.39 -51.69 61.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.488 ' HB3' HD12 ' A' ' 29' ' ' LEU . 7.6 mp -44.82 -42.33 7.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.476 HD13 ' CH2' ' A' ' 31' ' ' TRP . 53.4 mt -61.81 -39.47 91.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 mt -92.06 -6.55 50.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 17' ' ' ASP . 2.3 m -121.56 82.37 40.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.657 0.741 . . . . 0.0 110.851 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -9.35 25.92 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.711 2.274 . . . . 0.0 112.337 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -81.53 -26.51 35.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.89 -44.98 5.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -66.24 124.19 22.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.825 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.3 t -115.24 86.59 2.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.82 30.16 14.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.7 mt -87.48 -30.32 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 111.123 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.488 HD12 ' HB3' ' A' ' 18' ' ' LEU . 1.1 mt -137.47 172.57 12.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -145.96 145.41 30.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.478 ' CD2' ' HD2' ' A' ' 34' ' ' ARG . 8.0 m95 -89.8 100.97 13.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -81.76 -24.42 36.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -166.31 104.86 0.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.478 ' HD2' ' CD2' ' A' ' 31' ' ' TRP . 55.2 mmm-85 -69.14 -33.01 72.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -69.4 -50.83 42.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -78.3 -29.02 47.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.57 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 91.94 22.19 31.2 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.503 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 22.6 mt -83.38 137.42 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 111.102 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.671 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 37.9 p90 -139.98 152.65 46.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.3 ttt85 -112.28 148.62 33.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 85.4 t -97.25 79.23 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.2 t -48.93 -47.27 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -116.46 93.65 4.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.473 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 93.4 p -66.91 -27.51 67.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -79.15 -40.16 31.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.12 -36.87 77.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.7 tp -61.72 -41.66 97.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.51 -47.13 50.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -53.89 -49.58 68.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.1 -54.55 39.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.537 ' NE1' HD12 ' A' ' 11' ' ' LEU . 23.1 t-105 -48.8 -54.46 15.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.477 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -47.08 -44.86 19.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.467 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -54.15 -33.8 58.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.811 0.338 . . . . 0.0 110.899 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -70.79 -36.16 72.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.99 10.97 37.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 57.13 23.63 8.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -94.27 92.81 7.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -62.44 -19.22 63.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -101.13 33.57 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.477 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 50.5 tpp -83.78 131.98 34.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.0 t -150.19 146.42 26.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.473 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 3.4 t80 -39.67 -45.63 1.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -51.16 -41.27 60.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -82.97 -46.51 12.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.519 HD12 ' CD1' ' A' ' 51' ' ' TRP . 4.3 tt -50.94 -46.46 60.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 94.4 p -44.64 -33.62 1.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.815 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 68' ' ' ALA . 2.9 ptt-85 -46.58 -43.15 16.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.431 ' HB3' HD13 ' A' ' 11' ' ' LEU . . . -74.67 -34.61 62.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.405 ' HA ' HD12 ' A' ' 78' ' ' LEU . 59.2 mt -63.77 -43.01 97.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.582 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -74.8 -19.88 60.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -87.46 -15.35 37.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.483 ' HB2' HD12 ' A' ' 78' ' ' LEU . 8.6 m-85 -79.41 -10.48 59.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.582 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 23.2 m-85 -72.57 -55.24 7.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.01 -43.15 73.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.0 p -74.2 -20.73 60.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 95.47 -11.51 68.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.517 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.472 HD13 ' HB3' ' A' ' 92' ' ' ASN . 14.9 mm -50.72 -42.69 23.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.883 0.373 . . . . 0.0 111.105 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.483 HD12 ' HB2' ' A' ' 72' ' ' TYR . 11.3 mt -115.15 166.47 11.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.45 122.59 38.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -50.3 130.92 23.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.596 HG11 HG12 ' A' ' 86' ' ' VAL . 32.9 t -121.91 141.38 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -102.21 33.23 3.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.513 ' H ' HG12 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -119.43 177.75 4.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.464 ' O ' HG23 ' A' ' 86' ' ' VAL . 3.0 tpt180 -93.44 123.91 37.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.7 mp 48.47 36.56 7.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.596 HG12 HG11 ' A' ' 81' ' ' VAL . 33.8 t -127.46 115.06 38.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.171 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.524 ' HA ' HG21 ' A' ' 81' ' ' VAL . 4.1 m-85 -116.06 170.86 8.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -148.9 130.19 14.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.671 ' CE2' ' CE1' ' A' ' 39' ' ' PHE . 98.6 m-85 -73.29 130.21 39.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -74.64 -158.88 6.49 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.69 -32.28 25.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.776 0.322 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.472 ' HB3' HD13 ' A' ' 77' ' ' ILE . 3.1 m-80 -57.51 -35.05 69.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.41 104.88 7.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.064 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -104.27 120.9 42.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 159.03 -37.23 0.5 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.57 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 62.9 p-90 -86.16 -52.81 5.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.729 0.3 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.42 ' N ' ' CG ' ' A' ' 96' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.511 HD23 ' HB3' ' A' ' 68' ' ' ALA . 34.4 tp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.81 0.338 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.574 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 17.1 p-90 -40.11 -38.31 0.73 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.574 ' HG2' ' CH2' ' A' ' 12' ' ' TRP . 0.5 OUTLIER -72.44 -41.32 66.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.4 t80 -63.63 -50.96 67.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.418 ' HA ' HD12 ' A' ' 18' ' ' LEU . 7.7 p -63.15 -30.38 49.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 1.6 ttp180 -75.81 -47.43 25.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.05 -29.47 30.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.461 ' CD2' ' HB2' ' A' ' 25' ' ' ASN . 8.1 mt -66.0 -44.41 84.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.472 HD22 ' CE2' ' A' ' 31' ' ' TRP . 7.1 mt -59.0 -35.1 72.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.3 mt -86.82 -13.0 46.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.5 m -116.77 80.81 11.18 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.656 0.741 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -5.95 17.43 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.321 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -85.22 -25.3 27.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.12 -39.46 7.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.461 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . 11.1 t30 -77.16 130.99 38.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.85 86.57 2.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 48.26 37.64 18.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.1 mt -91.6 -23.85 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.87 0.367 . . . . 0.0 111.122 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.614 HD23 ' HA ' ' A' ' 41' ' ' VAL . 9.2 mt -141.81 167.23 22.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -139.65 149.63 43.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.472 ' CE2' HD22 ' A' ' 19' ' ' LEU . 9.9 m95 -96.13 98.02 10.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -79.57 -25.48 41.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -167.84 102.5 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.8 tpt85 -68.01 -39.2 83.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.2 -49.62 76.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -79.09 -32.0 44.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.08 27.25 11.16 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.459 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 29.2 mt -88.72 140.22 16.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.906 0.384 . . . . 0.0 111.112 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 87' ' ' TYR . 22.8 p90 -142.42 153.15 43.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -115.67 144.49 43.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.614 ' HA ' HD23 ' A' ' 29' ' ' LEU . 58.7 t -91.53 84.17 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.9 t -55.04 -52.37 44.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -111.2 90.79 3.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.575 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 89.1 p -65.03 -29.54 70.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -73.03 -50.08 25.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.59 -37.76 88.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 32.1 tp -55.67 -53.1 60.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.527 ' HA ' HD13 ' A' ' 65' ' ' LEU . . . -66.05 -50.44 64.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.65 -48.44 49.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.9 mmm -66.37 -46.05 78.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 23.6 t-105 -54.21 -51.76 63.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.25 -46.57 34.89 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.476 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -50.63 -30.87 14.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.79 0.329 . . . . 0.0 110.901 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -74.53 -37.39 63.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -93.97 3.35 55.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.42 47.36 14.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.502 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 47.3 t-20 -91.52 -43.93 9.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 6.4 t0 83.71 -33.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.3 mtt-85 -104.91 33.93 3.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 48.6 tpp -84.16 132.81 34.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 62' ' ' TYR . 6.8 t -150.84 143.4 24.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.575 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 6.4 t80 -34.77 -42.46 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.47 -49.78 54.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 61' ' ' THR . 8.9 mttt -79.78 -42.78 23.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.527 HD13 ' HA ' ' A' ' 48' ' ' ALA . 6.8 tt -52.12 -40.83 61.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 54.7 p -54.22 -30.37 49.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.844 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -48.03 -39.62 20.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.591 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -75.65 -35.66 60.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.56 ' HB3' ' CE2' ' A' ' 87' ' ' TYR . 44.3 mt -63.68 -41.08 98.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.579 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -84.65 -20.85 30.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.524 ' CE1' ' HD2' ' A' ' 74' ' ' LYS . 15.7 t80 -83.94 -12.99 54.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.591 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 10.9 m-85 -83.27 -20.1 35.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.579 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 21.3 m-85 -63.45 -40.9 98.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.524 ' HD2' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -62.53 -36.47 82.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.0 p -87.88 -17.54 31.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.158 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.64 -20.35 48.97 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.517 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.0 mm -38.41 -45.48 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 111.102 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.462 ' HB2' ' CB ' ' A' ' 72' ' ' TYR . 0.8 OUTLIER -109.18 -177.4 3.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 88' ' ' LYS . 0.4 OUTLIER -125.05 128.03 47.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -70.0 101.52 1.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 51.3 t -106.72 137.28 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -94.49 44.25 1.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -117.77 -174.36 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.635 ' O ' HG23 ' A' ' 86' ' ' VAL . 3.7 tpt180 -97.2 119.55 35.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.7 mp 44.0 41.91 4.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 84' ' ' ARG . 41.6 t -126.77 108.82 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 69' ' ' LEU . 10.5 m-85 -113.51 168.52 9.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 79' ' ' GLU . 6.7 tttm -151.89 137.52 17.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 89.5 m-85 -74.69 123.84 25.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.49 -147.45 0.26 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.22 -22.17 18.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.782 0.325 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -67.28 -30.59 70.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.73 130.07 40.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 27.2 p80 -128.55 125.18 37.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 145.5 -43.13 0.94 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.573 ' CD2' ' N ' ' A' ' 97' ' ' GLN . 65.7 p-90 -80.69 -54.05 5.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.699 0.285 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.573 ' N ' ' CD2' ' A' ' 96' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.557 HD23 ' CE2' ' A' ' 51' ' ' TRP . 1.8 tm? . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.768 0.318 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.465 ' CZ3' ' HB1' ' A' ' 93' ' ' ALA . 30.4 p-90 -49.86 -39.6 39.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.07 -34.96 75.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.529 ' CE1' ' HB2' ' A' ' 51' ' ' TRP . 2.2 t80 -66.65 -51.81 51.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.45 ' HB ' HD11 ' A' ' 47' ' ' LEU . 2.4 p -64.37 -37.13 79.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 8.3 ttp180 -71.07 -47.48 58.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -50.99 -40.04 57.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.44 ' CD2' ' HB2' ' A' ' 25' ' ' ASN . 14.6 mt -51.42 -41.45 60.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.523 HD22 ' CE2' ' A' ' 31' ' ' TRP . 3.8 mt -64.98 -41.35 95.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.3 mt -79.78 -19.14 49.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.3 m -113.61 80.59 4.96 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.59 0.709 . . . . 0.0 110.853 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -13.49 34.83 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.726 2.284 . . . . 0.0 112.355 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -74.47 -28.4 61.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.88 -44.36 5.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.44 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . 24.1 t30 -69.03 127.28 32.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.23 85.16 2.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 52.94 38.16 54.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.421 HD12 HD22 ' A' ' 18' ' ' LEU . 53.4 mt -89.81 -35.61 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.902 0.382 . . . . 0.0 111.143 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.438 HD21 HG23 ' A' ' 15' ' ' VAL . 2.2 mt -132.58 172.6 12.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.46 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 1.0 OUTLIER -145.31 143.63 30.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.901 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.523 ' CE2' HD22 ' A' ' 19' ' ' LEU . 11.2 m95 -88.63 96.35 10.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.941 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -77.2 -26.22 52.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -166.25 106.28 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.52 ' HD3' ' CG ' ' A' ' 31' ' ' TRP . 5.0 mmm180 -68.11 -42.77 79.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -60.39 -51.97 67.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -75.57 -32.46 60.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.413 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 92.8 26.54 16.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.0 mt -87.68 135.77 24.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.827 0.346 . . . . 0.0 111.174 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.491 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 34.8 p90 -137.09 148.9 47.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -110.14 142.55 41.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.411 ' O ' HD23 ' A' ' 85' ' ' LEU . 86.9 t -91.55 83.2 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.46 ' CG2' ' HG3' ' A' ' 30' ' ' GLU . 58.7 t -54.38 -49.6 63.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -113.22 104.28 12.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 97.7 p -78.84 -22.23 46.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -85.4 -30.43 23.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.835 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.16 -38.39 36.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.45 HD11 ' HB ' ' A' ' 15' ' ' VAL . 29.9 tp -61.8 -42.39 98.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.04 -47.72 34.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.055 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.6 mttp -53.59 -50.96 64.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.419 ' CE ' HD21 ' A' ' 18' ' ' LEU . 1.1 mmm -65.34 -44.09 88.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.557 ' CE2' HD23 ' A' ' 11' ' ' LEU . 22.1 t-105 -56.06 -50.4 71.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.481 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -50.23 -46.43 43.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.499 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -52.24 -30.86 29.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.8 0.333 . . . . 0.0 110.896 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -72.53 -39.59 67.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.72 11.28 34.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.37 32.36 20.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.481 ' OD1' ' N ' ' A' ' 59' ' ' ARG . 32.0 t-20 -100.63 89.43 3.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.91 -15.04 10.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.481 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 1.7 mtt180 -108.96 36.59 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.481 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 47.9 tpp -84.91 135.93 33.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.0 t -154.96 150.29 27.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -41.33 -46.12 3.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -47.86 -39.96 20.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -87.51 -47.84 8.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 tt -49.35 -39.79 33.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.9 m -57.44 -31.25 65.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -45.38 -40.24 7.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.43 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -78.35 -32.93 49.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.409 HD21 HD11 ' A' ' 11' ' ' LEU . 63.8 mt -65.99 -40.53 91.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.536 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -82.66 -18.06 42.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.473 ' O ' ' CD1' ' A' ' 71' ' ' TYR . 19.6 t80 -87.51 -17.45 32.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.469 ' CD1' ' HB ' ' A' ' 77' ' ' ILE . 7.2 m-85 -77.86 -17.31 57.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.536 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 25.7 m-85 -69.18 -3.2 12.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -98.87 -36.0 9.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.925 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.2 p -92.36 -8.45 44.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.3 -18.86 53.13 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.478 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.469 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 3.6 mm -39.08 -45.46 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.891 0.376 . . . . 0.0 111.152 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.3 mt -117.71 166.17 12.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.949 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.446 ' O ' HG23 ' A' ' 81' ' ' VAL . 0.3 OUTLIER -118.86 117.02 27.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.433 ' HA ' ' CE1' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -52.49 115.99 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 -179.892 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 79' ' ' GLU . 47.8 t -106.14 147.13 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.43 39.73 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.1 mtp85 -129.1 179.01 6.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.828 ' O ' HG23 ' A' ' 86' ' ' VAL . 15.4 ttt85 -98.6 132.08 44.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.411 HD23 ' O ' ' A' ' 41' ' ' VAL . 10.1 mp 43.88 42.59 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 84' ' ' ARG . 86.1 t -140.3 104.45 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.408 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 15.3 m-85 -109.97 171.88 7.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -149.3 126.54 11.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 95.5 m-85 -68.17 133.14 48.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -78.19 -150.6 4.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.42 -15.97 25.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.339 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.06 -32.81 72.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.465 ' HB1' ' CZ3' ' A' ' 12' ' ' TRP . . . -77.19 140.46 40.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.095 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -124.3 149.13 46.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 116.95 -39.64 2.61 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.491 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.451 ' CZ2' ' HG3' ' A' ' 97' ' ' GLN . 29.5 p-90 -82.53 -42.26 18.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.745 0.307 . . . . 0.0 110.94 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.451 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 14' ' ' PHE . 8.6 tp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.76 0.314 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.544 ' CZ2' ' HG3' ' A' ' 13' ' ' GLU . 17.8 p-90 -40.25 -36.95 0.58 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.544 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.7 OUTLIER -75.45 -40.76 57.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.7 t80 -60.43 -49.96 75.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.8 p -68.52 -38.58 79.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.162 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 1.6 ttp180 -65.22 -38.66 91.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -57.46 -45.48 84.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.466 ' HB3' HD12 ' A' ' 29' ' ' LEU . 4.9 mp -49.53 -43.39 45.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.518 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 19.2 mt -59.13 -31.24 68.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mt -99.61 -6.95 26.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -118.73 82.09 19.76 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.691 0.758 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -6.66 19.15 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.713 2.275 . . . . 0.0 112.322 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -83.75 -28.54 28.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.36 -43.88 5.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -66.39 123.05 18.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.6 t -114.76 88.28 2.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 46.13 34.0 5.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.6 mt -90.01 -36.29 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.854 0.359 . . . . 0.0 111.137 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.466 HD12 ' HB3' ' A' ' 18' ' ' LEU . 1.9 mt -130.63 169.82 15.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -145.42 147.73 32.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.54 ' CD2' ' HD2' ' A' ' 34' ' ' ARG . 9.2 m95 -90.47 102.0 14.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.72 -31.86 46.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -166.82 90.69 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.838 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.54 ' HD2' ' CD2' ' A' ' 31' ' ' TRP . 2.7 tpt180 -51.35 -34.63 34.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -67.81 -46.99 70.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -84.98 -3.85 58.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.451 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 63.56 24.1 67.52 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 59.8 mt -88.97 125.37 42.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 111.135 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.424 ' CZ ' ' HB2' ' A' ' 87' ' ' TYR . 13.8 p90 -128.4 160.27 32.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -122.11 153.86 38.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.4 t -102.83 86.0 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.2 t -55.07 -38.76 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.2 mttm -118.37 112.65 20.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.572 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 87.5 p -88.66 -20.09 25.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.33 -29.35 18.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.19 -32.42 29.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.507 HD23 ' CE1' ' A' ' 62' ' ' TYR . 28.7 tp -61.13 -50.46 73.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.49 ' HA ' HD13 ' A' ' 65' ' ' LEU . . . -64.24 -46.74 82.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.073 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.3 mttp -53.16 -49.64 66.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.1 mmm -60.56 -45.48 93.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.892 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.414 ' CB ' HD12 ' A' ' 65' ' ' LEU . 30.0 t-105 -58.15 -54.78 43.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.485 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -43.62 -42.29 5.92 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -53.41 -41.66 66.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.446 ' HD2' ' N ' ' A' ' 54' ' ' ARG . 15.4 mmm180 -68.27 -34.5 76.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -101.77 18.3 20.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER 36.44 33.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.895 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' LYS . 26.1 t-20 -96.42 93.26 6.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -59.66 -10.73 3.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.419 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 3.1 mmt180 -106.28 21.36 17.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.485 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 39.8 tpp -73.21 136.11 44.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 64' ' ' LYS . 2.4 p -153.23 144.99 23.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.572 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 7.4 t80 -41.92 -29.75 0.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.64 -42.13 78.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.419 ' CE ' ' O ' ' A' ' 59' ' ' ARG . 2.8 mtpp -82.33 -29.6 30.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.49 HD13 ' HA ' ' A' ' 48' ' ' ALA . 7.3 tt -69.48 -42.55 74.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.1 m -61.49 -22.61 65.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.5 ptt180 -50.49 -33.55 21.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -86.53 -26.72 24.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 98.3 mt -64.89 -35.56 81.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.565 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -86.16 -25.92 25.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -75.93 -15.22 60.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.935 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.452 ' CD1' ' HB ' ' A' ' 77' ' ' ILE . 8.2 m-85 -78.23 -18.75 54.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.929 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.565 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 23.6 m-85 -68.99 -14.11 62.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.9 mtpp -86.97 -40.2 15.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 29.0 p -86.66 -14.93 41.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.62 -12.99 65.91 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.452 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 9.7 mm -44.42 -46.21 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.866 0.365 . . . . 0.0 111.085 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.2 mt -113.92 172.44 6.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -125.75 125.33 42.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.06 122.52 13.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.5 t -114.91 145.94 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.02 28.72 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.889 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -135.29 136.77 41.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.707 ' O ' HG23 ' A' ' 86' ' ' VAL . 6.8 ptt-85 -67.95 161.46 26.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 84' ' ' ARG . 8.6 mp 37.02 30.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 84' ' ' ARG . 70.9 t -137.76 107.1 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.424 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 16.6 m-85 -114.74 168.3 10.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -149.67 127.6 11.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 97.6 m-85 -67.56 135.09 52.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -81.22 -147.07 5.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.462 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.68 -24.38 19.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.83 0.348 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -64.68 -31.57 72.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.32 153.91 39.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.1 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -139.81 166.54 24.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 96.39 -39.22 2.87 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.451 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 23.3 p-90 -85.43 -36.53 20.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.68 0.276 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.922 -179.959 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 14' ' ' PHE . 26.4 tp . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.823 0.344 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.565 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 29.5 p-90 -40.19 -35.15 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.565 ' HG2' ' CH2' ' A' ' 12' ' ' TRP . 1.0 OUTLIER -75.46 -38.88 59.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -64.24 -52.82 56.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.431 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 6.2 p -63.36 -36.06 74.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 4.1 ttp180 -69.17 -47.85 63.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -53.15 -33.58 53.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.523 HD22 ' HB2' ' A' ' 25' ' ' ASN . 16.4 mt -63.55 -46.36 86.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.492 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 13.0 mt -59.71 -30.98 69.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.7 mt -90.94 -15.82 29.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.9 m -114.7 81.31 7.06 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.628 0.728 . . . . 0.0 110.817 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -2.29 9.94 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -88.52 -25.6 22.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.35 -41.63 6.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.523 ' HB2' HD22 ' A' ' 18' ' ' LEU . 7.1 t30 -72.94 132.44 43.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.412 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 1.8 t -116.44 88.22 2.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 45.57 42.28 10.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.458 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.493 ' CD1' ' SD ' ' A' ' 50' ' ' MET . 23.1 mt -95.1 -29.85 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 111.129 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.631 HD23 ' HA ' ' A' ' 41' ' ' VAL . 2.1 mt -141.93 168.18 20.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -139.8 147.53 40.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.492 ' CE2' ' HB3' ' A' ' 19' ' ' LEU . 10.5 m95 -86.77 102.18 14.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 3.3 mm-40 -80.62 -29.87 36.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.547 ' CG ' ' NE2' ' A' ' 36' ' ' GLN . 47.4 m-20 -162.06 104.22 1.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.5 mmm-85 -65.95 -41.62 91.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -54.63 38.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.547 ' NE2' ' CG ' ' A' ' 33' ' ' ASP . 17.1 mt-30 -75.11 -26.49 59.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.448 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 85.93 25.53 37.53 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.481 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 38.4 mt -86.78 138.26 19.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.885 0.374 . . . . 0.0 111.09 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 14.9 p90 -142.32 158.24 43.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.9 ttt180 -119.36 143.04 47.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.819 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.631 ' HA ' HD23 ' A' ' 29' ' ' LEU . 59.9 t -87.52 85.92 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.8 t -55.19 -50.43 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -111.69 85.45 2.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.534 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 81.1 p -64.22 -16.08 61.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -84.65 -53.39 5.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.32 -30.46 71.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.455 HD23 ' CE1' ' A' ' 62' ' ' TYR . 8.6 tp -60.65 -49.3 78.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.93 -50.99 60.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -49.8 -50.61 44.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.493 ' SD ' ' CD1' ' A' ' 28' ' ' ILE . 60.3 mtp -60.63 -49.19 78.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.722 ' CD1' HD12 ' A' ' 65' ' ' LEU . 26.9 t-105 -53.41 -47.39 69.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.469 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -52.13 -46.37 56.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.538 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -53.8 -30.65 45.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.792 0.329 . . . . 0.0 110.915 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -74.49 -40.03 62.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.39 5.18 52.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 52' ' ' GLY . 8.0 mtmt 60.08 29.67 19.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -97.0 85.46 3.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.79 -19.19 3.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -103.44 32.22 3.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.469 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 46.1 tpp -79.45 131.91 36.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.415 HG23 ' H ' ' A' ' 64' ' ' LYS . 14.6 t -152.02 138.54 18.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.078 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.534 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 4.0 t80 -38.86 -35.88 0.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -56.88 -45.15 82.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.415 ' H ' HG23 ' A' ' 61' ' ' THR . 56.7 mttm -84.98 -39.91 17.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.722 HD12 ' CD1' ' A' ' 51' ' ' TRP . 4.7 tt -55.44 -45.43 76.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 64.0 p -50.83 -32.48 20.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.41 -41.28 13.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.01 -32.24 61.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.072 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.451 ' HA ' ' CD1' ' A' ' 78' ' ' LEU . 57.2 mt -65.43 -33.36 75.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.562 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 4.7 mmm180 -87.89 -20.95 25.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -83.63 -21.44 32.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -70.68 -28.53 64.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.562 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 24.8 m-85 -57.95 -28.38 64.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -68.79 -37.2 79.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.1 p -90.77 -23.83 20.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.19 -22.18 27.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.468 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.663 HD13 ' HB3' ' A' ' 92' ' ' ASN . 25.2 mm -38.24 -45.06 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.369 . . . . 0.0 111.125 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.482 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 9.9 mt -111.93 165.93 11.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.493 ' O ' HG23 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -119.72 123.09 42.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.41 125.03 16.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.85 HG12 ' H ' ' A' ' 83' ' ' ARG . 92.8 t -123.31 138.42 53.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -101.67 30.65 4.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.85 ' H ' HG12 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -112.07 175.85 5.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.806 ' O ' HG23 ' A' ' 86' ' ' VAL . 4.9 tpt180 -84.45 121.31 27.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.8 mp 41.94 40.84 1.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 84' ' ' ARG . 75.2 t -121.92 110.49 27.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -114.38 168.18 10.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -150.55 136.51 18.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 92.9 m-85 -74.47 124.87 27.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -71.47 -155.85 2.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.45 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.19 -22.57 22.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.663 ' HB3' HD13 ' A' ' 77' ' ' ILE . 0.8 OUTLIER -64.81 -34.83 79.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.95 162.28 29.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -146.49 178.78 8.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.85 -35.67 4.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.5 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.448 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 41.4 p-90 -88.11 -41.96 12.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.733 0.302 . . . . 0.0 110.942 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.424 ' O ' HD12 ' A' ' 11' ' ' LEU . 3.6 tp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.805 0.336 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.524 ' CZ2' ' HG3' ' A' ' 13' ' ' GLU . 17.6 p-90 -41.78 -36.85 1.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.524 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -76.61 -41.22 46.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -61.11 -57.87 10.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.3 p -58.55 -40.38 78.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.126 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.51 ' HB2' ' CE1' ' A' ' 89' ' ' PHE . 4.9 ttp180 -62.29 -43.46 98.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.57 -51.05 61.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.9 mp -44.81 -44.58 9.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.441 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . 41.3 mt -57.56 -36.51 71.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.7 mt -94.61 -6.13 44.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -120.42 82.2 31.85 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.638 0.732 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -10.71 29.24 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.256 . . . . 0.0 112.364 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -79.84 -24.73 41.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.39 -45.22 4.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -65.24 119.88 11.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.11 85.34 2.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.55 37.02 25.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.45 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.0 mt -97.42 -23.21 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.874 0.368 . . . . 0.0 111.15 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.2 mt -142.27 167.77 21.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -146.76 146.97 30.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.441 ' NE1' ' HB3' ' A' ' 19' ' ' LEU . 7.6 m95 -90.44 98.83 12.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -77.67 -30.76 52.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.87 105.47 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -40.38 83.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -54.02 50.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -76.17 -30.09 57.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.496 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 91.27 27.2 18.94 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.443 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.7 mt -88.98 132.94 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.895 0.379 . . . . 0.0 111.116 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.54 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 33.6 p90 -131.68 158.55 40.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.436 ' HG2' ' N ' ' A' ' 41' ' ' VAL . 43.3 ttt180 -118.82 149.96 40.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.436 ' N ' ' HG2' ' A' ' 40' ' ' ARG . 99.1 t -99.63 84.11 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.4 t -53.55 -47.69 59.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.9 mttm -114.45 104.61 12.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.538 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 83.6 p -76.88 -27.55 55.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -77.69 -43.61 30.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.63 -37.43 76.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.065 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 36.7 tp -56.22 -48.11 77.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.571 ' HA ' HD13 ' A' ' 65' ' ' LEU . . . -70.72 -50.98 30.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.078 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.03 -48.32 43.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.4 mmm -66.03 -44.6 84.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.787 ' CD1' HD12 ' A' ' 65' ' ' LEU . 24.2 t-105 -52.55 -54.61 30.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 56' ' ' LYS . . . -48.94 -47.94 31.32 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -48.97 -38.07 22.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.748 0.308 . . . . 0.0 110.877 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -71.7 -41.19 68.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.834 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.93 -2.71 58.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 52' ' ' GLY . 0.4 OUTLIER 52.34 30.82 8.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.841 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -58.67 -88.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -179.44 -55.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 60' ' ' MET . 0.8 OUTLIER -149.61 37.77 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 59' ' ' ARG . 31.0 tpp -34.51 140.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.897 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 59' ' ' ARG . 0.7 OUTLIER -138.96 141.69 38.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.186 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.538 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 8.4 t80 -37.4 -32.37 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.964 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 61' ' ' THR . 2.2 tt0 -61.05 -47.27 87.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 61' ' ' THR . 2.4 mtpp -80.86 -35.63 32.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.787 HD12 ' CD1' ' A' ' 51' ' ' TRP . 5.6 tt -62.33 -42.87 99.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.959 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.466 ' HA ' HD12 ' A' ' 69' ' ' LEU . 21.7 p -54.95 -31.08 60.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.46 ' CG ' ' N ' ' A' ' 68' ' ' ALA . 12.9 ptt180 -47.14 -45.61 22.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.46 ' N ' ' CG ' ' A' ' 67' ' ' ARG . . . -74.09 -38.64 63.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 66' ' ' SER . 90.3 mt -51.6 -42.16 61.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.575 ' HA ' ' CD2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -83.68 -21.14 32.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -74.66 -26.56 59.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -69.25 -24.27 63.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.575 ' CD2' ' HA ' ' A' ' 70' ' ' ARG . 23.3 m-85 -61.97 -8.58 5.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -95.64 -27.46 15.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.6 p -98.66 -13.65 20.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.34 -20.64 49.43 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 13.9 mm -41.33 -45.95 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.888 0.375 . . . . 0.0 111.141 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.8 mt -114.68 172.29 7.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -129.97 125.48 35.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.404 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -58.65 129.65 43.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.412 HG12 ' H ' ' A' ' 83' ' ' ARG . 45.3 t -118.72 143.98 28.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -94.31 32.28 1.57 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.412 ' H ' HG12 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -119.3 -175.13 2.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.671 ' O ' HG23 ' A' ' 86' ' ' VAL . 21.5 ttp180 -106.74 127.91 53.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.2 mp 49.79 37.0 12.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 84' ' ' ARG . 92.3 t -132.73 109.19 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 34.4 m-85 -110.04 173.9 6.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -151.66 134.98 16.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.932 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.54 ' CE2' ' CD1' ' A' ' 39' ' ' PHE . 89.8 m-85 -77.02 124.19 27.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.844 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -71.13 -152.66 1.07 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.524 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.53 -25.64 20.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.78 0.324 . . . . 0.0 110.857 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.84 -34.41 73.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.423 ' HB1' ' CZ3' ' A' ' 12' ' ' TRP . . . -77.74 138.45 39.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.083 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 31.5 p80 -129.57 119.64 23.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 160.65 -41.09 0.43 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.498 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.496 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 61.2 p-90 -84.93 -53.99 4.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.761 0.315 . . . . 0.0 110.893 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.451 ' N ' ' CG ' ' A' ' 96' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.466 HD23 ' HB3' ' A' ' 68' ' ' ALA . 27.0 tp . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.82 0.343 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 72' ' ' TYR . 18.5 p-90 -40.79 -32.6 0.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.413 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.3 OUTLIER -78.9 -39.9 33.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.437 ' CD1' ' N ' ' A' ' 15' ' ' VAL . 1.5 t80 -61.73 -57.32 12.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.437 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 6.2 p -58.33 -43.55 86.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.166 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.543 ' HB2' ' CE1' ' A' ' 89' ' ' PHE . 1.9 ttp180 -60.31 -37.33 80.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -57.92 -50.51 73.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.429 ' HB3' HD12 ' A' ' 29' ' ' LEU . 8.0 mp -44.28 -45.06 8.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.507 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 34.0 mt -58.72 -38.13 77.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.0 mt -92.07 -6.33 51.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.4 m -122.07 81.62 43.7 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.691 0.758 . . . . 0.0 110.823 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -5.61 16.6 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.683 2.255 . . . . 0.0 112.383 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -84.66 -26.27 27.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.7 -46.45 4.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -62.88 120.95 12.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.12 87.17 2.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.15 41.56 30.56 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.527 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.7 mt -100.46 -35.55 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.869 0.366 . . . . 0.0 111.126 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.429 HD12 ' HB3' ' A' ' 18' ' ' LEU . 1.5 mt -130.59 174.51 9.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.478 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 1.0 OUTLIER -147.97 142.86 26.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.507 ' CE2' ' HB3' ' A' ' 19' ' ' LEU . 5.9 m95 -87.18 93.21 9.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.95 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.66 -34.08 69.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -159.73 112.54 2.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 34' ' ' ARG . 5.6 mmm180 -70.84 -40.05 72.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.58 -51.58 64.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -76.47 -34.53 58.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.456 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 93.47 24.61 20.89 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.429 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 12.5 mt -84.94 134.93 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.866 0.365 . . . . 0.0 111.132 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.494 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 49.5 p90 -134.55 151.15 50.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -112.17 145.57 39.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 92.9 t -91.15 84.04 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.478 ' CG2' ' HG3' ' A' ' 30' ' ' GLU . 68.2 t -53.04 -50.8 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -115.41 91.09 3.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.473 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 82.7 p -63.18 -23.88 67.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.836 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -80.71 -52.73 7.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.73 -32.86 72.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.116 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 34.1 tp -56.8 -51.41 69.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.5 ' HA ' HD13 ' A' ' 65' ' ' LEU . . . -71.12 -38.87 72.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.046 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.2 -49.04 75.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -65.56 -47.91 74.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 27.8 t-105 -52.88 -57.01 11.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.444 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -44.64 -44.17 8.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -57.88 -31.86 67.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.808 0.337 . . . . 0.0 110.901 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -73.16 -35.68 66.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.93 4.33 53.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.15 30.17 19.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -105.06 137.7 42.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.15 -4.82 28.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -106.37 24.45 12.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.444 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 39.9 tpp -79.89 134.22 36.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 62' ' ' TYR . 14.5 t -160.4 137.46 9.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.168 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.473 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 8.3 t80 -34.53 -43.65 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -49.78 -49.37 48.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 61' ' ' THR . 54.2 mttm -81.7 -42.86 19.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.5 HD13 ' HA ' ' A' ' 48' ' ' ALA . 7.0 tt -52.55 -38.79 60.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 69' ' ' LEU . 20.0 m -55.67 -34.73 65.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -43.85 -41.01 4.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.566 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -73.13 -31.81 64.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.046 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.531 HD13 ' CE2' ' A' ' 87' ' ' TYR . 85.4 mt -65.98 -37.01 84.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.429 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 3.2 mtt-85 -86.52 -21.25 27.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -82.7 -19.46 38.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.566 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 12.9 m-85 -73.62 -26.34 60.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.951 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.454 ' CD2' ' HD2' ' A' ' 80' ' ' ARG . 23.6 m-85 -59.42 -31.95 69.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.8 -44.85 88.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 46.3 p -84.55 -14.22 49.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 95.49 -14.58 64.75 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.5 mm -43.08 -40.6 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 111.129 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.6 mt -117.39 160.96 20.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.455 ' O ' HG23 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -117.72 117.81 30.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.454 ' HD2' ' CD2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -46.44 129.37 10.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.76 HG12 ' H ' ' A' ' 83' ' ' ARG . 84.7 t -120.36 139.15 48.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.57 32.68 3.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.76 ' H ' HG12 ' A' ' 81' ' ' VAL . 0.6 OUTLIER -117.02 -175.53 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.849 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.439 ' O ' HG23 ' A' ' 86' ' ' VAL . 11.7 ttp180 -97.9 120.95 39.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 85' ' ' LEU . 3.8 mm? 46.67 38.0 5.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.691 ' O ' HG11 ' A' ' 81' ' ' VAL . 18.7 t -126.01 105.25 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.13 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.531 ' CE2' HD13 ' A' ' 69' ' ' LEU . 6.5 m-85 -108.0 170.57 7.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -151.93 135.84 16.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.894 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.543 ' CE1' ' HB2' ' A' ' 16' ' ' ARG . 99.0 m-85 -73.74 134.59 43.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.836 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -81.0 -156.64 14.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -22.8 27.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.812 0.339 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -66.13 -30.77 71.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -81.76 130.67 35.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -117.85 165.65 13.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 104.68 -42.1 1.98 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.456 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 47.1 p-90 -79.83 -40.16 29.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.699 0.285 . . . . 0.0 110.901 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.541 HD23 ' HB3' ' A' ' 68' ' ' ALA . 14.6 tp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.807 0.337 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.448 ' CZ2' ' HG3' ' A' ' 13' ' ' GLU . 10.6 p-90 -43.52 -31.51 0.73 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.448 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.7 OUTLIER -80.66 -39.45 27.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.433 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 1.1 t80 -64.88 -51.19 63.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.497 ' HA ' HD12 ' A' ' 18' ' ' LEU . 7.6 p -63.18 -34.11 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.468 ' HE ' ' N ' ' A' ' 17' ' ' ASP . 2.7 ttp180 -71.61 -48.28 49.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.832 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.468 ' N ' ' HE ' ' A' ' 16' ' ' ARG . 11.3 t70 -53.37 -36.18 61.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.533 HD21 ' CE ' ' A' ' 50' ' ' MET . 9.0 mt -57.76 -42.66 84.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.7 mt -62.84 -39.74 95.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.4 mt -81.91 -16.87 49.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.7 m -111.91 81.11 3.37 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.653 0.739 . . . . 0.0 110.832 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -3.56 12.32 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.637 2.224 . . . . 0.0 112.349 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -90.14 -23.85 21.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.31 -38.52 7.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 26' ' ' CYS . 5.7 t30 -75.84 133.36 40.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.459 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 5.5 t -116.43 85.99 2.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 44.73 42.6 7.69 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.467 HG23 ' HB2' ' A' ' 43' ' ' LYS . 19.1 mt -97.2 -28.45 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.866 0.365 . . . . 0.0 111.142 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.631 HD23 ' HA ' ' A' ' 41' ' ' VAL . 8.5 mt -135.23 170.99 15.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -146.64 151.0 36.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.533 ' CD1' ' HD3' ' A' ' 34' ' ' ARG . 10.5 m95 -96.7 115.49 27.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -88.0 -38.17 15.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -165.68 83.19 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.533 ' HD3' ' CD1' ' A' ' 31' ' ' TRP . 5.5 mmm180 -38.75 -48.34 1.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -47.3 -54.85 9.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -78.02 -16.53 58.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.927 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.551 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 78.53 18.21 76.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.474 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 36.6 mt -82.22 133.57 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.579 ' CE1' ' CE1' ' A' ' 89' ' ' PHE . 26.9 p90 -137.52 154.32 49.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -114.46 141.91 47.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.631 ' HA ' HD23 ' A' ' 29' ' ' LEU . 48.3 t -94.16 85.3 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.1 t -52.47 -51.48 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.467 ' HB2' HG23 ' A' ' 28' ' ' ILE . 41.2 mttm -108.39 101.57 10.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.8 p -77.24 -25.36 51.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -80.85 -36.94 30.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.16 -37.14 58.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.7 tp -54.95 -45.62 74.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.98 -49.14 30.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -48.93 -45.85 42.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.533 ' CE ' HD21 ' A' ' 18' ' ' LEU . 2.8 mmm -68.03 -44.88 75.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.831 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 27.1 t-105 -55.87 -52.67 63.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.439 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -46.99 -47.13 20.05 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.53 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -52.73 -31.56 38.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.777 0.322 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -75.46 -35.98 60.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.14 10.89 40.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 54.19 31.44 14.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 -97.3 86.61 3.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -55.94 -19.79 13.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -103.32 28.33 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.439 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 23.5 tpp -74.61 133.89 42.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.3 t -152.71 143.86 23.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.18 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -42.32 -28.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -64.0 -43.54 95.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -85.05 -35.2 22.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.5 tt -60.28 -39.23 86.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 69' ' ' LEU . 33.3 p -55.42 -33.94 63.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.406 ' CG ' ' N ' ' A' ' 68' ' ' ALA . 3.1 ptt85 -41.66 -43.13 2.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.597 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -74.3 -32.42 62.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.432 ' HA ' HD12 ' A' ' 78' ' ' LEU . 40.9 mt -67.19 -32.35 73.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.581 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 1.1 mmm180 -85.15 -24.01 28.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -86.46 -15.11 41.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 10.7 m-85 -78.77 -11.07 59.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.581 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 21.1 m-85 -72.81 -55.25 6.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.64 -42.44 78.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 p -74.91 -18.13 60.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.03 -13.18 68.32 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.471 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.505 HG21 ' CD1' ' A' ' 72' ' ' TYR . 3.7 mm -47.45 -41.87 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.797 0.332 . . . . 0.0 111.153 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.465 HD12 ' HB2' ' A' ' 72' ' ' TYR . 12.6 mt -116.43 170.07 8.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.31 123.51 42.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.22 120.83 9.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 89.3 t -118.77 141.22 39.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -93.99 44.75 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -130.89 179.38 6.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.763 ' O ' HG23 ' A' ' 86' ' ' VAL . 3.7 ttm-85 -104.86 134.62 47.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.3 mp 47.83 33.16 3.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 84' ' ' ARG . 88.8 t -132.56 109.84 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -115.47 172.41 7.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -151.11 133.9 15.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.579 ' CE1' ' CE1' ' A' ' 39' ' ' PHE . 96.5 m-85 -75.33 123.75 25.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.79 -150.1 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.0 -13.47 26.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.77 0.319 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -75.76 -31.03 59.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.48 127.86 34.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.082 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -115.71 143.72 44.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 123.51 -40.59 1.94 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.551 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 37.0 p-90 -84.35 -42.65 15.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.676 0.274 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.453 ' N ' ' CD2' ' A' ' 96' ' ' TRP . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.747 HD23 ' NE1' ' A' ' 51' ' ' TRP . 1.5 tm? . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.82 0.343 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.647 ' CZ3' ' HB1' ' A' ' 93' ' ' ALA . 20.1 p-90 -52.29 -44.48 65.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.596 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -69.67 -45.16 69.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.833 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 51' ' ' TRP . 3.0 t80 -48.51 -55.11 11.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 11' ' ' LEU . 3.6 p -66.64 -23.6 31.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.125 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 3.6 ttp180 -77.79 -34.57 52.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 21' ' ' SER . 21.2 t70 -61.99 -51.37 68.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.405 ' HB3' HD12 ' A' ' 29' ' ' LEU . 8.1 mp -43.77 -44.0 6.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.412 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 62.0 mt -60.41 -36.31 77.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mt -93.19 -9.69 38.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 17' ' ' ASP . 4.7 m -121.39 85.7 42.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.643 0.735 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -8.93 24.87 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.698 2.265 . . . . 0.0 112.356 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -78.1 -29.97 49.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.06 -42.35 6.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -67.71 118.52 11.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.38 84.82 2.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.17 36.89 57.83 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.1 mt -96.42 -39.91 9.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.899 0.38 . . . . 0.0 111.127 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.47 HD21 HD13 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -130.66 171.51 12.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.467 ' CG ' ' HB3' ' A' ' 40' ' ' ARG . 4.4 pt-20 -148.74 151.36 34.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.517 ' CD2' ' HD2' ' A' ' 34' ' ' ARG . 27.9 m95 -91.61 125.14 36.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -99.37 -49.77 4.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -149.31 71.04 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.517 ' HD2' ' CD2' ' A' ' 31' ' ' TRP . 5.6 tpt180 -34.44 -42.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -53.23 -51.53 61.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 33' ' ' ASP . 4.1 mt-30 -78.56 -26.67 45.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.415 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 90.24 27.22 21.38 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.445 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.5 mt -94.48 138.15 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.841 0.353 . . . . 0.0 111.154 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -140.76 152.66 45.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.467 ' HB3' ' CG ' ' A' ' 30' ' ' GLU . 42.0 ttt180 -111.61 148.05 34.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.526 HG13 HD22 ' A' ' 47' ' ' LEU . 57.9 t -94.43 83.77 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 77.5 t -48.91 -57.27 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -110.76 100.37 9.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.868 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.588 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 89.6 p -68.68 -28.22 66.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -75.67 -53.28 8.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.7 -37.47 81.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.526 HD22 HG13 ' A' ' 41' ' ' VAL . 49.6 tp -57.53 -46.98 83.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.447 ' HA ' HD13 ' A' ' 65' ' ' LEU . . . -73.91 -52.11 13.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -45.92 -48.82 16.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.24 -47.08 78.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.747 ' NE1' HD23 ' A' ' 11' ' ' LEU . 20.8 t-105 -52.8 -55.83 20.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.03 -47.1 15.04 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.525 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -50.06 -33.66 19.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 0.0 110.913 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -69.44 -41.83 75.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.66 3.96 51.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 47.21 48.9 15.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.49 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 32.5 t30 -93.5 -43.39 8.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 0.3 OUTLIER 82.93 -37.04 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -101.0 39.52 1.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 54.5 tpp -91.1 138.44 31.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 62' ' ' TYR . 8.8 t -157.47 144.99 18.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.141 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.588 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 4.2 t80 -36.11 -50.39 0.71 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -44.65 -44.97 9.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -83.8 -48.43 10.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.516 ' HG ' HD21 ' A' ' 11' ' ' LEU . 7.1 tt -45.7 -44.31 13.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.7 p -49.51 -35.18 19.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -44.19 -40.5 5.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.931 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.599 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -74.69 -34.23 62.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.626 HD13 ' CE2' ' A' ' 87' ' ' TYR . 75.3 mt -65.66 -35.02 79.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.501 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 9.2 mtm180 -83.23 -28.36 29.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.433 ' CD1' ' HE2' ' A' ' 74' ' ' LYS . 67.5 t80 -77.83 -15.19 59.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 14.2 m-85 -80.48 -21.53 41.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.501 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 23.3 m-85 -64.5 -34.42 78.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.433 ' HE2' ' CD1' ' A' ' 71' ' ' TYR . 4.3 mtmp? -63.37 -49.83 72.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.9 p -76.8 -24.73 52.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.27 -14.49 47.65 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.529 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.5 mm -43.09 -39.98 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 69' ' ' LEU . 10.1 mt -117.24 159.29 22.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -113.27 119.5 37.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -52.76 115.08 1.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.837 HG12 ' H ' ' A' ' 83' ' ' ARG . 74.4 t -106.48 141.74 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -101.97 33.58 2.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.837 ' H ' HG12 ' A' ' 81' ' ' VAL . 19.1 mtt85 -119.05 175.67 5.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.962 ' O ' HG23 ' A' ' 86' ' ' VAL . 16.6 ttp180 -85.81 128.16 34.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 84' ' ' ARG . 10.2 mp 37.92 43.0 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.951 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.962 HG23 ' O ' ' A' ' 84' ' ' ARG . 81.8 t -128.89 107.69 16.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.626 ' CE2' HD13 ' A' ' 69' ' ' LEU . 31.4 m-85 -109.4 169.64 8.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.3 tttm -151.88 135.29 16.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 80.4 m-85 -73.67 130.29 39.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.875 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.77 -154.27 6.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.51 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.85 -25.53 20.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.769 0.319 . . . . 0.0 110.86 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -34.65 75.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.647 ' HB1' ' CZ3' ' A' ' 12' ' ' TRP . . . -75.88 177.94 6.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 20.5 p80 -162.02 174.04 13.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 96.31 -45.16 1.93 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.571 ' CZ2' ' HG3' ' A' ' 97' ' ' GLN . 46.3 p-90 -76.25 -45.53 32.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.685 0.279 . . . . 0.0 110.941 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.571 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 1.7 mt-30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.747 HD23 ' CE2' ' A' ' 51' ' ' TRP . 2.4 tm? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.795 0.331 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.546 ' HB3' ' CE2' ' A' ' 72' ' ' TYR . 26.8 p-90 -45.79 -34.96 4.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.963 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.531 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -76.84 -40.71 46.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.7 -51.57 69.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.2 p -61.48 -40.51 86.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.105 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.451 ' HE ' ' N ' ' A' ' 17' ' ' ASP . 2.1 ttp180 -65.03 -49.63 69.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.451 ' N ' ' HE ' ' A' ' 16' ' ' ARG . 32.8 t0 -52.29 -37.98 57.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.505 HD22 ' HB2' ' A' ' 25' ' ' ASN . 13.2 mt -54.41 -45.84 73.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.466 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . 13.6 mt -60.8 -42.8 98.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.6 mt -80.13 -13.32 59.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.2 m -118.82 83.77 23.67 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.654 0.74 . . . . 0.0 110.852 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -9.75 26.88 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.36 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -77.27 -29.04 53.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.78 -40.76 7.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.944 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.505 ' HB2' HD22 ' A' ' 18' ' ' LEU . 14.4 t30 -76.04 128.69 35.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.5 87.21 2.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.23 39.82 28.39 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.5 mt -92.59 -33.67 5.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 0.0 111.118 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.706 HD23 ' HA ' ' A' ' 41' ' ' VAL . 4.8 mt -134.13 172.68 12.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.47 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 3.1 mt-10 -143.61 143.11 31.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.492 ' CD2' ' HD2' ' A' ' 34' ' ' ARG . 16.3 m95 -87.5 96.13 10.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -78.45 -34.17 47.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.829 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -159.07 101.82 1.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.492 ' HD2' ' CD2' ' A' ' 31' ' ' TRP . 47.5 mmm-85 -65.81 -44.61 85.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.826 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.93 -49.15 78.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.401 ' O ' ' HE2' ' A' ' 88' ' ' LYS . 2.8 mt-30 -75.99 -28.96 58.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.8 30.83 16.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.51 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.1 mt -97.11 136.96 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 111.112 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.423 ' HD2' HD22 ' A' ' 29' ' ' LEU . 18.5 p90 -140.49 151.05 44.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -111.49 146.41 37.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.844 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.706 ' HA ' HD23 ' A' ' 29' ' ' LEU . 81.0 t -92.47 82.49 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.47 ' CG2' ' HG3' ' A' ' 30' ' ' GLU . 97.2 t -49.91 -50.08 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.168 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.2 mttm -115.94 105.43 12.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.449 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 96.9 p -77.73 -15.93 58.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -89.74 -42.71 11.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.58 -37.78 77.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 30.2 tp -59.93 -47.22 86.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.73 -47.71 58.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -50.14 -46.55 54.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.3 mmm -69.25 -41.22 77.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.747 ' CE2' HD23 ' A' ' 11' ' ' LEU . 21.4 t-105 -57.89 -54.22 49.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.476 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -46.12 -48.65 14.8 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -49.59 -39.52 35.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 0.0 110.946 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -64.81 -36.24 83.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.2 14.61 31.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.01 33.13 8.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.441 ' C ' ' OD1' ' A' ' 57' ' ' ASN . 28.1 t-20 -96.39 86.02 4.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -54.08 -23.46 13.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.422 ' C ' ' OD1' ' A' ' 57' ' ' ASN . 0.8 OUTLIER -104.72 40.55 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.875 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.512 ' CE ' ' CD1' ' A' ' 51' ' ' TRP . 40.7 tpp -92.03 131.24 37.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.0 t -151.55 149.75 29.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.136 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.449 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 5.4 t80 -38.43 -53.88 1.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -42.24 -40.87 2.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -85.78 -51.43 6.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.945 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.641 HD12 ' CD1' ' A' ' 51' ' ' TRP . 5.0 tt -44.63 -45.64 9.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 69' ' ' LEU . 26.0 p -47.8 -35.69 10.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' A' ' 68' ' ' ALA . 11.7 ptt-85 -40.69 -40.68 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.529 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -79.51 -30.6 41.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.121 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 66' ' ' SER . 80.3 mt -67.59 -38.38 83.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.502 ' HA ' ' CD2' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -85.96 -23.46 26.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -80.26 -16.3 55.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.546 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 6.3 m-85 -77.26 -30.18 54.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.915 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.564 ' CD2' ' HD2' ' A' ' 80' ' ' ARG . 24.3 m-85 -56.59 -27.79 58.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -66.77 -44.95 80.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 33.6 p -84.99 -22.57 29.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 106.79 -18.04 37.93 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.8 mm -40.52 -41.23 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.842 0.353 . . . . 0.0 111.096 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.455 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 11.4 mt -116.46 165.13 13.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.95 120.21 32.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.564 ' HD2' ' CD2' ' A' ' 73' ' ' TYR . 2.3 ttt180 -61.48 120.81 11.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.3 t -112.62 135.49 51.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.62 39.78 0.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -119.49 -178.06 3.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.509 ' O ' HG23 ' A' ' 86' ' ' VAL . 26.1 tpt180 -100.88 119.27 38.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.405 HD23 ' CD ' ' A' ' 84' ' ' ARG . 3.9 mm? 51.18 36.42 15.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 84' ' ' ARG . 55.8 t -126.5 104.11 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -103.79 169.68 8.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.401 ' HE2' ' O ' ' A' ' 36' ' ' GLN . 14.3 tttt -151.71 132.5 14.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -72.34 131.61 42.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.98 -151.03 4.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.447 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.83 -22.01 18.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.82 0.343 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -63.77 -32.03 73.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.493 ' HB1' ' CZ3' ' A' ' 12' ' ' TRP . . . -82.36 132.49 35.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -123.3 133.13 54.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 149.4 -44.29 0.73 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.461 ' CG ' ' N ' ' A' ' 97' ' ' GLN . 59.1 p-90 -84.26 -54.94 4.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.686 0.279 . . . . 0.0 110.885 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.461 ' N ' ' CG ' ' A' ' 96' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.482 ' CD2' ' HB3' ' A' ' 68' ' ' ALA . 17.1 tp . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.772 0.32 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.517 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 21.1 p-90 -40.59 -39.99 1.17 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.517 ' HG2' ' CH2' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -69.09 -40.98 78.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.459 ' CD1' ' N ' ' A' ' 15' ' ' VAL . 1.5 t80 -62.46 -58.49 7.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.459 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 2.3 p -61.18 -24.41 33.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.471 ' HB2' ' CE1' ' A' ' 89' ' ' PHE . 2.0 ttp180 -77.32 -41.8 39.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 21' ' ' SER . 27.0 t70 -56.24 -47.26 78.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.429 ' HB3' HD12 ' A' ' 29' ' ' LEU . 8.5 mp -48.54 -45.12 37.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.506 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 15.0 mt -62.23 -35.09 77.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.0 mt -95.58 -3.33 46.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 17' ' ' ASP . 3.2 m -125.32 83.98 60.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.724 0.773 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -4.22 13.64 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.652 2.235 . . . . 0.0 112.338 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -85.79 -26.9 25.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.07 -47.04 4.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -63.23 124.02 20.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.7 89.14 3.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 43.86 36.96 3.89 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.455 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.413 HG23 ' HB2' ' A' ' 43' ' ' LYS . 11.1 mt -94.4 -31.82 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.874 0.369 . . . . 0.0 111.143 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.429 HD12 ' HB3' ' A' ' 18' ' ' LEU . 1.0 OUTLIER -133.66 170.59 15.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -145.1 145.39 31.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.523 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 5.9 m95 -90.04 104.23 16.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -81.32 -38.72 26.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.493 ' HB2' ' CG1' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -152.89 104.27 2.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.523 ' HD3' ' CG ' ' A' ' 31' ' ' TRP . 0.8 OUTLIER -68.25 -25.46 65.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.872 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -71.44 -51.13 25.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.434 ' O ' ' CE ' ' A' ' 88' ' ' LYS . 3.5 mt-30 -89.15 -16.68 30.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.567 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 85.7 31.72 20.53 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.461 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.493 ' CG1' ' HB2' ' A' ' 33' ' ' ASP . 8.4 mm -78.62 127.22 38.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.876 0.369 . . . . 0.0 111.105 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.588 ' CZ ' ' HB2' ' A' ' 87' ' ' TYR . 51.0 p90 -137.81 146.77 43.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.451 ' HG2' ' N ' ' A' ' 41' ' ' VAL . 6.0 ttt180 -115.82 148.83 39.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.451 ' N ' ' HG2' ' A' ' 40' ' ' ARG . 97.0 t -96.27 80.17 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.8 t -49.67 -52.24 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.413 ' HB2' HG23 ' A' ' 28' ' ' ILE . 31.1 mttm -110.06 91.5 3.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.499 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 35.0 p -67.47 -26.61 66.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -76.85 -38.38 53.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.17 -30.01 48.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.1 tp -61.86 -44.39 96.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.26 -46.08 43.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.23 -46.69 62.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.5 mmm -66.28 -48.95 68.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.49 ' CD1' HD12 ' A' ' 65' ' ' LEU . 17.1 t-105 -51.59 -54.93 22.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -48.08 -44.25 25.84 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.451 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -52.03 -31.74 31.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.788 0.327 . . . . 0.0 110.929 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -73.38 -37.01 66.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -95.62 8.54 43.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 40.66 48.96 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 43.1 t30 -92.68 -44.22 8.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 0.9 OUTLIER 83.64 -34.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -102.31 34.7 2.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 52.5 tpp -87.08 133.15 33.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.3 t -149.18 146.54 27.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.113 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.499 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 7.3 t80 -38.24 -49.65 1.38 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -48.11 -41.74 27.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -81.97 -48.36 11.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.49 HD12 ' CD1' ' A' ' 51' ' ' TRP . 4.7 tt -49.1 -51.48 31.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.924 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 69' ' ' LEU . 43.0 m -43.82 -37.91 3.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -42.65 -38.79 2.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.482 ' HB3' ' CD2' ' A' ' 11' ' ' LEU . . . -78.46 -29.62 46.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 66' ' ' SER . 69.1 mt -66.67 -33.52 75.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.505 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -86.54 -21.86 26.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -84.39 -20.43 31.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.429 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 8.6 m-85 -74.02 -19.72 60.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.957 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.505 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 23.6 m-85 -64.55 -23.98 67.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.902 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -76.76 -46.92 23.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.9 p -77.14 -15.95 59.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.01 -5.82 72.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.3 mm -54.01 -41.83 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.811 0.339 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.461 HD23 ' O ' ' A' ' 88' ' ' LYS . 7.1 mt -115.52 166.76 11.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.11 122.66 37.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.34 133.61 34.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.843 HG12 ' H ' ' A' ' 83' ' ' ARG . 57.8 t -126.9 137.23 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.92 32.13 1.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.843 ' H ' HG12 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -116.6 177.89 4.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.881 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.875 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -90.06 126.46 35.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.874 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.7 mp 40.99 44.55 2.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.875 HG23 ' O ' ' A' ' 84' ' ' ARG . 83.1 t -129.64 118.44 45.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.588 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 25.4 m-85 -121.6 172.36 8.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.942 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.461 ' O ' HD23 ' A' ' 78' ' ' LEU . 7.5 tttt -151.27 141.85 22.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.471 ' CE1' ' HB2' ' A' ' 16' ' ' ARG . 95.9 m-85 -82.47 123.48 29.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.95 -146.29 0.28 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -93.87 -22.47 18.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.808 0.337 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -67.61 -28.39 67.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.464 ' HB1' ' CZ3' ' A' ' 12' ' ' TRP . . . -86.16 139.51 31.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -119.56 164.98 15.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 102.9 -49.05 0.99 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.51 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.567 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 24.6 p-90 -75.49 -46.69 30.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.775 0.322 . . . . 0.0 110.907 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.543 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 1.3 mt-30 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 14' ' ' PHE . 39.1 tp . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.812 0.339 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.488 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 32.0 p-90 -40.22 -34.55 0.32 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.488 ' HG2' ' CH2' ' A' ' 12' ' ' TRP . 0.3 OUTLIER -75.18 -42.63 55.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.426 ' CD2' ' HG3' ' A' ' 54' ' ' ARG . 1.2 t80 -62.24 -54.37 41.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.7 p -60.05 -32.08 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.081 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.445 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 1.4 ttp180 -72.32 -44.31 62.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -56.45 -29.91 62.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.486 HD21 ' CE ' ' A' ' 50' ' ' MET . 12.0 mt -65.48 -39.69 92.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.46 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . 5.1 mt -65.73 -34.71 78.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.4 mt -86.74 -14.06 43.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.0 m -116.98 80.89 11.74 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.618 0.723 . . . . 0.0 110.832 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -5.41 16.15 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.652 2.235 . . . . 0.0 112.337 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -83.47 -28.09 29.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.85 -40.65 7.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.465 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . 9.6 t30 -73.69 131.28 41.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.8 t -116.48 85.41 2.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 48.79 44.81 31.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.47 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 51.4 mt -98.42 -25.91 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.358 . . . . 0.0 111.135 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.628 HD23 ' HA ' ' A' ' 41' ' ' VAL . 6.9 mt -140.53 168.41 19.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -140.79 147.04 38.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.46 ' NE1' ' HB3' ' A' ' 19' ' ' LEU . 12.2 m95 -93.38 98.08 10.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -79.64 -28.83 40.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -163.42 102.9 0.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -39.04 83.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -60.0 -51.12 71.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -78.34 -32.37 49.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.93 26.4 11.6 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.461 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.2 mt -88.35 141.86 13.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.851 0.358 . . . . 0.0 111.103 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.492 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 37.9 p90 -146.16 151.0 36.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -111.95 142.33 44.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.628 ' HA ' HD23 ' A' ' 29' ' ' LEU . 88.2 t -88.14 84.22 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.9 t -52.69 -53.09 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 37.1 mttm -111.93 95.27 5.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.579 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 77.8 p -68.04 -30.48 69.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -73.7 -47.55 38.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.13 -39.1 92.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.5 tp -54.23 -54.35 41.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.16 -49.55 71.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -49.3 -48.3 46.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.486 ' CE ' HD21 ' A' ' 18' ' ' LEU . 4.6 mmm -66.52 -50.71 62.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.642 ' CD1' HD12 ' A' ' 65' ' ' LEU . 21.0 t-105 -48.8 -57.6 6.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.01 -48.93 14.15 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -48.79 -31.87 7.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 110.945 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.426 ' HG3' ' CD2' ' A' ' 14' ' ' PHE . 5.4 mmm180 -74.21 -35.7 63.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.99 8.33 43.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 45.53 32.0 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 52.3 t-20 -75.57 -49.0 19.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 8.0 t0 83.72 -32.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 -103.22 30.39 4.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.434 ' CE ' ' CD1' ' A' ' 51' ' ' TRP . 53.3 tpp -81.25 140.79 34.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 62' ' ' TYR . 11.2 t -159.7 139.61 11.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.579 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 3.3 t80 -35.27 -41.56 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -51.98 -49.33 63.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 61' ' ' THR . 50.1 mttm -80.42 -42.63 22.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.642 HD12 ' CD1' ' A' ' 51' ' ' TRP . 1.5 tt -51.54 -48.0 63.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.3 p -45.38 -38.84 6.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.2 ptt-85 -42.98 -40.87 3.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.98 -34.24 57.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.093 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.1 mt -63.42 -43.38 97.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.573 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -81.87 -17.11 48.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.84 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -81.76 -21.93 37.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.46 ' CB ' ' HB2' ' A' ' 78' ' ' LEU . 10.9 m-85 -73.21 -26.54 61.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.573 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 21.6 m-85 -57.82 -23.86 54.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -78.28 -43.9 26.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.961 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.2 p -82.2 -8.03 59.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.43 -11.14 61.96 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.465 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.4 mm -47.06 -42.85 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 111.168 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.46 ' HB2' ' CB ' ' A' ' 72' ' ' TYR . 1.2 mp -110.31 -177.45 3.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.967 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -127.01 128.71 46.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -68.21 110.78 4.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 41.9 t -113.61 141.81 28.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.33 45.5 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.63 -172.73 2.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.0 112.02 24.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.3 mp 60.07 34.99 21.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 44.8 t -125.33 108.16 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -112.93 168.82 9.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 79' ' ' GLU . 8.8 tttt -151.95 129.56 11.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.492 ' CE2' ' CE1' ' A' ' 39' ' ' PHE . 93.6 m-85 -69.2 125.53 26.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -71.15 -150.52 0.75 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.45 -15.42 22.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -71.14 -27.18 63.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.16 136.38 38.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.074 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 29.1 p80 -131.26 128.22 39.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 142.34 -32.43 1.97 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.428 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.437 ' CG ' ' N ' ' A' ' 97' ' ' GLN . 66.1 p-90 -89.57 -51.27 5.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.762 0.315 . . . . 0.0 110.889 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.437 ' N ' ' CG ' ' A' ' 96' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -141.14 136.01 31.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.865 0.364 . . . . 0.0 110.856 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.4 p -142.44 -54.63 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.813 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.51 52.55 0.22 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.455 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.41 120.74 42.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.906 0.384 . . . . 0.0 110.872 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 t -94.61 -49.9 5.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.861 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.88 -41.42 2.13 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.405 ' O ' ' CD2' ' A' ' 10' ' ' HIS . 5.7 m -116.47 107.95 15.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.896 0.379 . . . . 0.0 110.848 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.417 ' C ' ' CG ' ' A' ' 10' ' ' HIS . 26.7 m -75.27 161.74 29.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.417 ' CG ' ' C ' ' A' ' 9' ' ' SER . 48.1 m-70 -157.48 136.2 11.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.559 HD11 HD11 ' A' ' 65' ' ' LEU . 15.0 tp -57.43 -59.81 4.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.436 ' CZ3' ' HB1' ' A' ' 93' ' ' ALA . 15.6 p-90 -40.77 -33.11 0.26 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -44.52 33.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.529 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 0.9 OUTLIER -61.83 -54.3 44.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.445 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 7.4 p -59.0 -34.9 54.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.546 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 5.7 ttp180 -71.54 -47.12 57.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -53.29 -37.42 62.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.529 HD11 ' CZ ' ' A' ' 14' ' ' PHE . 12.3 mt -58.76 -35.0 72.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.471 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . 26.6 mt -69.7 -30.63 68.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.2 mt -96.58 -2.75 44.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 m -126.13 81.47 66.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.682 0.753 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -9.87 27.19 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.637 2.225 . . . . 0.0 112.382 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.38 -27.8 38.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.07 -40.33 7.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.431 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . 14.0 t30 -76.92 129.31 36.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.3 85.43 2.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 48.91 47.95 31.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.5 mt -103.03 -29.61 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 111.136 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.564 HD23 ' HA ' ' A' ' 41' ' ' VAL . 6.4 mt -136.02 170.35 16.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.401 ' HG3' HG21 ' A' ' 42' ' ' VAL . 10.3 mt-10 -142.7 144.88 32.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.471 ' NE1' ' HB3' ' A' ' 19' ' ' LEU . 6.3 m95 -88.83 98.52 11.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -78.04 -30.49 49.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.546 ' CG ' ' NE2' ' A' ' 36' ' ' GLN . 28.8 m-20 -158.36 110.69 2.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -39.31 66.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -66.68 -52.63 42.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.546 ' NE2' ' CG ' ' A' ' 33' ' ' ASP . 17.9 mt-30 -74.69 -34.21 62.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.76 23.19 18.94 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.461 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.6 mt -84.32 134.97 25.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.853 0.358 . . . . 0.0 111.107 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.434 ' CZ ' ' HB2' ' A' ' 87' ' ' TYR . 11.9 p90 -137.3 156.38 48.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.473 ' HG2' ' N ' ' A' ' 41' ' ' VAL . 12.2 ttt180 -115.9 151.02 36.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.564 ' HA ' HD23 ' A' ' 29' ' ' LEU . 48.6 t -101.44 79.55 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.401 HG21 ' HG3' ' A' ' 30' ' ' GLU . 63.3 t -50.93 -46.04 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -114.51 89.63 3.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 86.3 p -66.84 -22.02 66.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -80.76 -48.5 12.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.08 -32.24 73.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.9 tp -57.14 -53.6 56.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.72 -51.11 53.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.23 -46.44 12.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.41 ' CE ' HD21 ' A' ' 18' ' ' LEU . 1.7 mmm -69.47 -41.56 76.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.687 ' CD1' HD12 ' A' ' 65' ' ' LEU . 21.5 t-105 -55.97 -55.07 37.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 56' ' ' LYS . . . -46.65 -50.56 14.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.499 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.37 -34.35 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.931 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -72.57 -34.01 67.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -101.97 7.44 41.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 52' ' ' GLY . 1.8 mttm 58.04 30.82 19.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -100.07 82.62 2.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.88 -24.45 6.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.6 mtt85 -96.87 29.33 3.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.432 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 48.0 tpp -85.17 133.15 34.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.566 HG22 ' HD3' ' A' ' 64' ' ' LYS . 11.1 t -152.78 154.12 34.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -39.53 -57.29 1.48 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -40.26 -41.74 1.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.566 ' HD3' HG22 ' A' ' 61' ' ' THR . 8.6 mtpp -80.08 -53.12 7.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.687 HD12 ' CD1' ' A' ' 51' ' ' TRP . 3.0 tt -45.42 -51.33 11.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 69' ' ' LEU . 9.4 p -44.02 -40.5 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.6 ptt-85 -40.07 -38.01 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.426 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -84.91 -28.57 25.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.544 HD21 HD21 ' A' ' 11' ' ' LEU . 87.8 mt -68.82 -31.89 71.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.487 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 3.0 mmt180 -90.16 -20.4 23.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -84.72 -15.79 43.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.426 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 5.8 m-85 -76.35 -23.39 54.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.487 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 22.9 m-85 -62.24 -24.55 67.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -74.2 -39.57 63.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.3 p -88.06 -22.17 24.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 102.69 -16.81 54.33 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.417 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 7.5 mm -41.87 -41.83 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.7 mt -116.67 167.74 10.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -126.07 121.14 32.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -61.03 134.11 56.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 49.7 t -122.89 152.02 27.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.31 33.88 1.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -120.8 -179.32 3.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.6 126.13 48.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.9 mp 52.18 34.61 14.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.9 t -125.58 115.0 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 4.8 m-85 -117.64 168.54 10.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -151.15 130.95 13.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.546 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 90.2 m-85 -69.33 129.06 38.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -72.06 -151.2 1.15 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -94.2 -23.98 17.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.805 0.336 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -62.54 -34.53 77.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.436 ' HB1' ' CZ3' ' A' ' 12' ' ' TRP . . . -74.31 158.25 34.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.112 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -137.17 173.2 11.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.71 -48.15 2.3 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.522 ' CZ2' ' HG3' ' A' ' 97' ' ' GLN . 23.4 p-90 -76.52 -40.0 51.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.752 0.31 . . . . 0.0 110.946 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.522 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 1.8 mt-30 -52.83 158.27 1.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -134.52 162.57 31.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 53.72 170.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.56 96.29 6.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 29.4 mt -119.01 113.92 21.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.39 -60.33 1.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 130.11 171.28 12.89 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -17.81 37.33 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.642 2.228 . . . . 0.0 112.376 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 55.2 p -102.95 146.7 27.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 107' ' ' GLY . 1.5 t -158.94 119.0 3.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.842 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 106' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.41 141.39 24.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 0.0 110.872 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.19 167.88 19.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.11 -60.55 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.514 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.9 -56.36 5.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.94 0.4 . . . . 0.0 110.881 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 53.11 92.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.903 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.54 -158.93 32.1 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 63.5 p -147.51 149.44 32.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.37 . . . . 0.0 110.837 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 48.92 93.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -110.35 148.04 32.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.822 HD13 ' C ' ' A' ' 11' ' ' LEU . 1.7 tm? -49.82 -54.86 16.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.572 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 35.1 p-90 -56.06 -36.21 67.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.572 ' HG2' ' CH2' ' A' ' 12' ' ' TRP . 0.7 OUTLIER -72.95 -34.57 66.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.532 ' CE1' ' HB2' ' A' ' 51' ' ' TRP . 0.9 OUTLIER -64.44 -48.3 75.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.915 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.439 ' HA ' HD12 ' A' ' 18' ' ' LEU . 3.0 p -72.24 -19.19 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -82.92 -52.0 7.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -51.16 -38.78 54.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.488 HD21 ' CE ' ' A' ' 50' ' ' MET . 18.0 mt -52.2 -42.76 63.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.469 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . 7.9 mt -62.73 -33.82 75.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.953 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mt -90.74 -14.76 31.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.0 m -114.73 80.61 6.57 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.677 0.751 . . . . 0.0 110.834 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -11.19 30.32 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.351 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.88 -25.97 43.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.47 -42.39 5.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.469 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . 11.4 t30 -70.25 130.72 42.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.45 85.42 2.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.49 45.05 22.74 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 33.6 mt -98.78 -30.56 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.927 0.394 . . . . 0.0 111.148 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.404 HD21 HD13 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -138.02 171.08 14.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 179.889 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.417 ' CG ' ' HB3' ' A' ' 40' ' ' ARG . 5.3 pt-20 -146.81 154.42 41.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.548 ' NE1' ' NH1' ' A' ' 34' ' ' ARG . 14.4 m95 -97.97 103.59 15.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -85.62 -25.93 26.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.97 96.29 0.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.548 ' NH1' ' NE1' ' A' ' 31' ' ' TRP . 1.7 tpt180 -66.1 -36.28 82.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -58.25 -47.35 83.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -85.08 -27.74 26.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.506 ' HA3' ' CH2' ' A' ' 96' ' ' TRP . . . 92.76 27.32 14.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.519 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.9 mt -90.88 142.18 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 111.155 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.559 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 34.9 p90 -148.16 150.07 33.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.417 ' HB3' ' CG ' ' A' ' 30' ' ' GLU . 35.7 ttt180 -111.39 147.49 35.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.0 t -94.14 82.97 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.0 t -51.17 -47.89 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.122 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -114.32 106.94 14.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.446 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 42.9 p -81.45 -27.89 34.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -80.53 -32.11 36.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.92 -34.81 44.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.118 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.404 HD13 HD21 ' A' ' 29' ' ' LEU . 23.6 tp -62.92 -49.47 74.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.16 -41.89 76.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -56.65 -52.09 66.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.488 ' CE ' HD21 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -63.97 -45.55 88.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.878 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.648 ' NE1' HD23 ' A' ' 11' ' ' LEU . 22.8 t-105 -56.7 -54.91 40.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.482 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -45.38 -41.44 8.77 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -60.04 -30.87 69.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.338 . . . . 0.0 110.883 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -70.17 -35.87 74.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.02 -3.47 57.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.32 30.16 11.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -100.79 142.14 32.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.69 20.3 18.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.439 ' O ' ' NZ ' ' A' ' 64' ' ' LYS . 9.5 mtt85 -137.29 30.79 2.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.482 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 41.7 tpp -81.52 139.74 34.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.459 HG22 ' CD ' ' A' ' 64' ' ' LYS . 4.9 t -166.83 140.02 3.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.446 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 4.1 t80 -35.81 -46.36 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -48.12 -46.36 34.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.459 ' CD ' HG22 ' A' ' 61' ' ' THR . 9.4 mttt -82.95 -45.85 13.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.518 HD12 ' CD1' ' A' ' 51' ' ' TRP . 6.4 tt -48.59 -44.08 36.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.0 p -51.34 -33.94 31.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.442 ' CG ' ' N ' ' A' ' 68' ' ' ALA . 1.0 OUTLIER -42.52 -44.62 4.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.834 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.577 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -72.2 -34.08 68.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.77 ' HA ' HD12 ' A' ' 78' ' ' LEU . 61.1 mt -67.13 -41.18 86.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.541 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 5.6 mmm180 -83.11 -17.58 42.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.455 ' O ' ' CD1' ' A' ' 71' ' ' TYR . 19.2 t80 -88.65 -17.8 29.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.577 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 9.1 m-85 -78.6 -14.97 59.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.947 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.541 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 23.0 m-85 -70.17 -2.63 13.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -98.5 -36.4 9.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.0 p -90.07 -19.54 24.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.132 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 102.7 -15.18 55.96 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.536 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.441 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 3.6 mm -46.14 -43.79 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.871 0.367 . . . . 0.0 111.113 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.77 HD12 ' HA ' ' A' ' 69' ' ' LEU . 8.4 mt -116.69 162.87 16.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.46 124.49 44.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -60.29 134.36 56.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 92.6 t -128.23 147.32 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.17 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -96.34 41.42 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.47 177.46 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.416 ' O ' HG23 ' A' ' 86' ' ' VAL . 22.8 tpt180 -100.49 116.13 31.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.6 mp 59.76 32.62 21.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 84' ' ' ARG . 89.5 t -125.08 106.19 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.452 ' CE2' HD13 ' A' ' 69' ' ' LEU . 13.6 m-85 -109.0 171.44 7.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -151.76 128.08 10.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.559 ' CE2' ' CE1' ' A' ' 39' ' ' PHE . 83.3 m-85 -68.61 133.5 48.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.6 -154.4 6.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.512 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.82 -21.17 22.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.33 . . . . 0.0 110.922 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.03 -34.13 77.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.95 158.22 36.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -140.83 172.27 12.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 95.26 -53.11 1.83 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.506 ' CH2' ' HA3' ' A' ' 37' ' ' GLY . 34.5 p-90 -72.81 -39.88 66.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.678 0.275 . . . . 0.0 110.911 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.474 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 3.5 mt-30 -56.5 147.71 21.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -145.97 83.32 1.63 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -177.7 126.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 39.7 tttt 55.27 53.08 10.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.9 mt -94.53 -45.55 7.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.72 100.25 5.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 167.11 150.89 6.63 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.447 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 105' ' ' SER . 53.7 Cg_endo -69.72 -1.56 8.66 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.742 2.295 . . . . 0.0 112.34 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 104' ' ' PRO . 98.3 p -34.95 119.89 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 55.3 p -131.59 145.68 51.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.473 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 t -74.52 81.08 1.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.895 0.378 . . . . 0.0 110.866 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.2 t -176.48 -52.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.845 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.66 63.64 5.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.506 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.28 143.62 26.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.882 0.373 . . . . 0.0 110.878 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.66 -54.03 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.838 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.49 -133.29 4.11 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 44.03 37.94 2.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 0.0 110.82 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.8 p -94.24 174.36 7.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -136.26 123.21 21.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.831 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.507 HD11 HD11 ' A' ' 65' ' ' LEU . 21.2 tp -54.81 -55.87 25.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.538 ' CZ3' ' HB1' ' A' ' 93' ' ' ALA . 20.6 p-90 -40.83 -41.44 1.58 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.509 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.3 OUTLIER -66.91 -43.13 84.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.883 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.456 ' CD1' ' N ' ' A' ' 15' ' ' VAL . 1.6 t80 -60.75 -58.39 8.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.485 ' HA ' HD12 ' A' ' 18' ' ' LEU . 3.1 p -57.19 -26.51 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.09 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.409 ' NH2' ' OD2' ' A' ' 17' ' ' ASP . 7.9 ttp180 -77.3 -53.16 8.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.409 ' OD2' ' NH2' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -49.01 -29.55 5.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 15' ' ' VAL . 9.1 mt -64.68 -45.73 85.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.41 HD22 ' CE2' ' A' ' 31' ' ' TRP . 6.6 mt -59.21 -36.85 76.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mt -84.39 -11.76 55.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 m -118.96 80.58 18.41 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.682 0.753 . . . . 0.0 110.835 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -5.34 15.97 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.702 2.268 . . . . 0.0 112.321 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -85.08 -26.54 26.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.08 -41.3 6.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 26' ' ' CYS . 6.4 t30 -72.79 132.89 44.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.442 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.5 OUTLIER -116.21 86.01 2.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.7 32.6 8.34 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.439 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.6 mt -84.02 -31.97 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.361 . . . . 0.0 111.121 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 mt -134.61 170.9 15.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -141.43 147.45 37.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.41 ' CE2' HD22 ' A' ' 19' ' ' LEU . 9.1 m95 -92.2 92.76 8.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -71.97 -33.31 68.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -160.91 110.79 1.7 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.5 mmm-85 -71.02 -42.41 69.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -60.38 -52.39 65.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -75.8 -34.67 60.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.451 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 95.36 26.65 11.79 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.4 mt -87.05 137.72 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 111.135 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.412 ' CZ ' ' HB2' ' A' ' 87' ' ' TYR . 37.2 p90 -137.92 153.12 49.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.8 ttt85 -114.1 145.08 42.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.9 t -90.13 82.69 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.2 t -54.02 -48.92 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -117.12 94.09 4.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.414 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 51.8 p -68.2 -14.42 62.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -87.64 -46.72 9.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.87 -37.05 81.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 35.9 tp -55.72 -49.59 72.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.39 -50.84 23.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -48.03 -47.29 33.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.1 mmm -66.85 -48.77 67.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.47 ' CD1' HD12 ' A' ' 65' ' ' LEU . 20.9 t-105 -50.43 -55.24 16.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.16 -47.49 33.46 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.478 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -48.65 -36.2 15.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.772 0.32 . . . . 0.0 110.866 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -69.18 -36.42 77.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.91 -2.73 58.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.56 32.84 15.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.869 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.484 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 43.2 t-20 -79.81 -48.37 13.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.932 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 3.4 t0 83.46 -22.42 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.6 mmt85 -108.37 28.99 7.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 50.7 tpp -81.29 139.14 35.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 64' ' ' LYS . 9.9 t -157.14 137.81 13.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.196 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 61' ' ' THR . 4.1 t80 -35.4 -41.87 0.19 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.08 -47.3 68.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 61' ' ' THR . 30.3 mttm -79.7 -43.21 23.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.507 HD11 HD11 ' A' ' 11' ' ' LEU . 6.6 tt -52.93 -49.33 66.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.9 p -44.89 -35.89 3.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.407 ' CG ' ' N ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -44.69 -42.55 7.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.407 ' N ' ' CG ' ' A' ' 67' ' ' ARG . . . -75.96 -35.98 59.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.6 mt -61.51 -41.67 97.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.555 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -81.62 -18.97 42.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.848 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -88.41 -14.48 37.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.435 ' CD1' ' HB ' ' A' ' 77' ' ' ILE . 4.3 m-85 -77.28 -21.97 52.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.906 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.555 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 24.4 m-85 -62.34 -20.22 64.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.89 -43.6 24.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.855 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 37.4 p -82.16 -15.75 52.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.131 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 95.84 -13.78 65.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.435 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 8.4 mm -45.21 -45.48 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.852 0.358 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 78' ' ' LEU . 12.7 mt -116.64 161.81 18.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.405 ' O ' HG23 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -116.88 122.39 44.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.45 ' HD2' ' CD2' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -58.78 118.44 5.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 79' ' ' GLU . 42.0 t -110.84 144.22 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.54 37.8 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -115.54 -170.3 1.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.621 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -100.79 117.8 35.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.3 mm? 45.51 42.35 7.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 84' ' ' ARG . 49.6 t -129.32 113.39 27.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.412 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 7.6 m-85 -112.97 168.4 9.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -147.21 132.89 18.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.909 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -71.26 129.94 40.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -75.27 -152.73 3.51 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.447 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.2 -16.39 24.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.797 0.332 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -69.89 -25.79 63.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.538 ' HB1' ' CZ3' ' A' ' 12' ' ' TRP . . . -84.76 135.04 34.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 20.1 p80 -122.74 143.02 50.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 124.79 -39.79 2.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.498 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.469 ' CZ2' ' HG3' ' A' ' 97' ' ' GLN . 42.3 p-90 -82.71 -43.15 17.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.665 0.269 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.469 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 1.2 mt-30 -47.84 163.85 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 97' ' ' GLN . 1.5 tm-20 -35.5 137.48 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -154.3 175.78 13.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.32 117.76 4.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 102' ' ' SER . 8.0 tp -164.71 115.69 1.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 101' ' ' LEU . 0.5 OUTLIER -35.15 -49.54 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 155.17 146.25 4.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.5 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 176.82 6.26 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.37 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 55.1 p -72.87 -40.6 65.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.824 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 t -171.06 -46.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.458 179.942 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.58 110.53 0.37 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.895 0.379 . . . . 0.0 110.853 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 m -57.55 173.76 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.834 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.08 115.45 2.97 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.455 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.37 91.68 7.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.362 . . . . 0.0 110.831 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -168.7 43.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.66 56.59 17.32 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.9 m -109.22 115.5 30.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 110.86 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 m -163.8 85.4 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -111.12 134.55 52.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.507 HD23 ' CD2' ' A' ' 51' ' ' TRP . 1.1 tm? -38.56 -62.25 0.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.548 ' HB3' ' CE2' ' A' ' 72' ' ' TYR . 13.9 p-90 -45.45 -38.14 5.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.534 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.5 OUTLIER -73.45 -39.9 64.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.434 ' CD1' ' N ' ' A' ' 15' ' ' VAL . 1.8 t80 -56.67 -57.35 12.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.434 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 2.7 p -60.93 -42.33 92.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.431 ' HE ' ' N ' ' A' ' 17' ' ' ASP . 0.3 OUTLIER -60.33 -43.23 96.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 21' ' ' SER . 14.0 t70 -52.87 -51.15 62.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.414 ' CB ' ' HB2' ' A' ' 25' ' ' ASN . 7.8 mp -44.22 -45.12 8.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.527 HD13 ' CZ2' ' A' ' 31' ' ' TRP . 68.3 mt -60.23 -39.94 88.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.9 mt -91.48 -5.77 53.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.947 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 17' ' ' ASP . 3.6 m -123.29 82.42 52.26 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.678 0.751 . . . . 0.0 110.855 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -9.89 27.21 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.279 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -79.78 -26.95 40.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.842 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.32 -46.11 4.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.414 ' HB2' ' CB ' ' A' ' 18' ' ' LEU . 45.0 t30 -64.29 121.07 13.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -115.59 86.55 2.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.03 36.06 19.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 29.6 mt -93.28 -28.88 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 111.138 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.466 HD23 ' HA ' ' A' ' 41' ' ' VAL . 2.5 mt -135.98 177.08 8.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.454 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 4.2 mt-10 -148.63 148.41 30.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.527 ' CZ2' HD13 ' A' ' 19' ' ' LEU . 10.8 m95 -95.18 95.83 8.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -73.58 -36.83 65.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.27 96.64 0.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -58.86 -44.12 90.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.43 -50.17 68.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -79.55 -23.0 43.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.574 ' HA3' ' CH2' ' A' ' 96' ' ' TRP . . . 85.12 28.33 31.25 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.464 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 36.3 mt -92.26 134.95 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.855 0.359 . . . . 0.0 111.173 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.402 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 33.1 p90 -137.26 150.39 47.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.464 ' HG2' ' N ' ' A' ' 41' ' ' VAL . 35.0 ttt180 -112.17 147.8 35.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.466 ' HA ' HD23 ' A' ' 29' ' ' LEU . 70.3 t -94.45 81.93 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.454 ' CG2' ' HG3' ' A' ' 30' ' ' GLU . 97.9 t -49.07 -49.31 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.5 mttm -116.62 107.78 15.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 83.0 p -77.41 -24.44 50.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -80.96 -46.81 14.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.32 -39.87 92.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 30.0 tp -55.99 -53.72 53.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.491 ' HA ' HD13 ' A' ' 65' ' ' LEU . . . -65.54 -44.16 87.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.068 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -47.0 75.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -37.23 80.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.507 ' CD2' HD23 ' A' ' 11' ' ' LEU . 24.2 t-105 -63.94 -49.26 73.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.483 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -51.13 -45.81 51.38 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -51.63 -33.53 33.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.84 0.352 . . . . 0.0 110.94 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -72.01 -35.82 69.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.61 10.13 41.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 54.49 29.11 10.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -97.56 84.49 3.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.33 -18.34 2.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.8 mmt180 -102.63 31.05 4.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.483 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 38.2 tpp -81.45 132.42 35.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.6 t -150.11 146.04 26.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.135 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -40.25 -42.69 1.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -50.69 -43.05 57.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -83.84 -43.48 15.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.491 HD13 ' HA ' ' A' ' 48' ' ' ALA . 8.6 tt -53.41 -35.59 60.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.2 p -59.39 -36.44 75.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.45 ' CG ' ' N ' ' A' ' 68' ' ' ALA . 1.3 ptt180 -43.1 -45.21 5.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.45 ' N ' ' CG ' ' A' ' 67' ' ' ARG . . . -72.27 -34.23 68.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.73 -37.34 87.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -87.06 -19.08 29.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -84.15 -16.19 44.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.548 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 6.8 m-85 -77.5 -21.89 52.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.944 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.487 ' CE1' ' N ' ' A' ' 80' ' ' ARG . 24.0 m-85 -64.86 -16.91 63.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -80.11 -40.05 28.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.2 p -87.71 -25.42 23.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.17 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.404 ' C ' ' HB2' ' A' ' 92' ' ' ASN . . . 109.9 -18.4 29.02 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.439 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 12.8 mm -39.7 -47.37 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.819 0.342 . . . . 0.0 111.119 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 78' ' ' LEU . 10.3 mt -112.07 169.43 8.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -130.72 113.39 14.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.487 ' N ' ' CE1' ' A' ' 73' ' ' TYR . 13.9 ttt180 -50.43 128.67 20.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 82' ' ' ASP . 59.9 t -115.67 152.49 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.406 ' N ' HG12 ' A' ' 81' ' ' VAL . 0.5 OUTLIER -92.72 34.24 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.403 ' HD3' ' CG1' ' A' ' 81' ' ' VAL . 1.1 mpt_? -129.17 167.59 17.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.416 ' O ' HG23 ' A' ' 86' ' ' VAL . 73.6 ttt180 -92.53 136.22 33.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.8 mp 48.7 27.63 1.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 84' ' ' ARG . 29.9 t -124.26 104.83 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -109.86 169.31 8.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -149.71 138.8 21.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.402 ' CE2' ' CE1' ' A' ' 39' ' ' PHE . 96.5 m-85 -78.4 133.11 37.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -81.69 -148.79 6.72 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.478 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.78 -24.92 18.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.79 0.329 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.404 ' HB2' ' C ' ' A' ' 76' ' ' GLY . 0.9 OUTLIER -61.52 -29.14 69.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -82.97 160.15 22.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.082 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 24.2 p80 -147.75 170.31 17.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 101.08 -44.55 1.54 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.574 ' CH2' ' HA3' ' A' ' 37' ' ' GLY . 48.3 p-90 -80.88 -41.5 23.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.722 0.296 . . . . 0.0 110.932 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.426 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 0.8 OUTLIER -52.53 154.4 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -119.11 160.18 22.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -59.96 161.28 6.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.71 176.58 6.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.14 104.36 13.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.6 p -114.7 -61.58 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -56.44 -169.61 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.514 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -178.08 2.16 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.47 -56.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.843 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 67.0 p 40.74 42.18 1.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.466 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.1 p -173.61 143.09 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 0.0 110.857 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.82 175.33 9.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.39 -127.96 7.28 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.467 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t 58.58 40.55 23.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.842 0.353 . . . . 0.0 110.85 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.15 144.28 46.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.819 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.61 -98.03 1.22 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.518 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.4 108.46 11.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.866 0.365 . . . . 0.0 110.85 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.9 t -90.51 168.85 11.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.6 m-70 -129.41 127.06 40.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.8 tp -57.07 -55.32 36.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.569 ' CZ2' ' HG3' ' A' ' 13' ' ' GLU . 15.1 p-90 -40.51 -39.34 1.0 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.569 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.4 OUTLIER -72.83 -41.77 64.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.422 ' CD2' ' N ' ' A' ' 15' ' ' VAL . 2.1 t80 -57.78 -58.86 6.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.422 ' N ' ' CD2' ' A' ' 14' ' ' PHE . 4.8 p -57.77 -42.31 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.559 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 4.3 ttp180 -63.45 -40.26 96.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -59.43 -34.22 72.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.495 HD21 ' CE ' ' A' ' 50' ' ' MET . 11.2 mt -60.97 -42.05 97.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.458 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . 9.0 mt -61.77 -40.59 95.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -81.27 -10.73 59.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.7 m -120.55 80.64 30.99 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.611 0.72 . . . . 0.0 110.834 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -6.78 19.4 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.252 . . . . 0.0 112.33 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -82.79 -28.32 30.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.92 -39.58 8.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.494 ' HB2' HD22 ' A' ' 18' ' ' LEU . 7.4 t30 -74.7 132.28 41.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.422 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.5 OUTLIER -116.48 85.02 2.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 48.9 36.11 19.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.485 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.4 mt -87.78 -31.12 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.854 0.359 . . . . 0.0 111.145 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.669 HD23 ' HA ' ' A' ' 41' ' ' VAL . 4.4 mt -139.29 171.26 14.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.455 ' CG ' ' HB3' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -145.39 149.54 34.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.458 ' NE1' ' HB3' ' A' ' 19' ' ' LEU . 31.6 m95 -89.2 97.33 11.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.976 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -73.3 -28.34 62.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.71 105.06 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -39.28 85.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.416 ' N ' ' OE1' ' A' ' 35' ' ' GLU . 1.4 mp0 -59.82 -54.3 47.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -76.5 -30.37 57.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.505 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 93.14 28.32 12.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.464 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.8 mt -91.58 142.71 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.359 . . . . 0.0 111.138 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.754 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 53.0 p90 -146.96 154.06 40.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.455 ' HB3' ' CG ' ' A' ' 30' ' ' GLU . 45.9 ttt180 -117.17 149.31 40.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.669 ' HA ' HD23 ' A' ' 29' ' ' LEU . 60.8 t -95.7 87.21 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.4 t -54.05 -44.78 63.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -118.44 93.56 4.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.1 p -68.55 -25.11 64.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -79.11 -38.63 35.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.28 -36.39 61.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 23.0 tp -56.54 -51.0 70.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.34 -49.91 51.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -47.88 -46.58 31.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.495 ' CE ' HD21 ' A' ' 18' ' ' LEU . 2.5 mmm -67.86 -45.67 73.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.61 ' CD1' HD12 ' A' ' 65' ' ' LEU . 20.6 t-105 -52.38 -56.0 17.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.63 -39.86 39.06 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.533 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -54.5 -35.58 63.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.32 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -70.8 -35.18 72.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.828 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -94.62 4.87 53.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.8 mttt 44.4 49.22 8.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.484 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 45.1 t-20 -93.65 -46.95 7.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER 83.59 -34.06 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.1 mpp_? -96.94 22.7 8.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 54.6 tpp -75.83 144.92 41.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 64' ' ' LYS . 9.9 t -165.86 141.41 4.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.162 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 61' ' ' THR . 2.4 t80 -37.41 -42.49 0.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -51.67 -46.46 63.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 61' ' ' THR . 22.3 mttm -82.16 -44.07 16.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.61 HD12 ' CD1' ' A' ' 51' ' ' TRP . 2.6 tt -51.45 -47.6 63.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.4 p -43.71 -37.01 2.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.6 ptt-85 -42.86 -41.11 3.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.31 -34.85 55.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.143 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.6 mt -62.87 -33.45 75.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.477 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -89.7 -24.08 21.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -80.78 -13.89 58.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.438 ' CD1' ' HB ' ' A' ' 77' ' ' ILE . 5.9 m-85 -76.58 -27.36 55.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.477 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 24.1 m-85 -61.07 -18.53 58.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -78.66 -32.11 47.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.448 ' O ' ' CG ' ' A' ' 92' ' ' ASN . 43.0 p -101.2 -6.93 23.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.35 -17.86 51.9 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.516 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.438 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 5.5 mm -38.45 -45.49 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.835 0.35 . . . . 0.0 111.161 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.9 mt -114.35 162.59 16.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 81' ' ' VAL . 0.4 OUTLIER -117.02 117.68 30.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -47.19 126.41 9.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.567 HG11 ' O ' ' A' ' 86' ' ' VAL . 22.0 t -118.91 141.2 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -103.0 32.72 3.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.502 ' H ' HG12 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -118.68 -172.75 2.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.44 ' O ' HG23 ' A' ' 86' ' ' VAL . 13.6 tpt180 -102.21 118.84 37.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.0 mp 54.08 28.1 8.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.567 ' O ' HG11 ' A' ' 81' ' ' VAL . 55.6 t -115.8 107.6 23.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.538 ' HA ' HG21 ' A' ' 81' ' ' VAL . 45.1 m-85 -113.35 169.44 8.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.3 tttm -151.79 135.14 16.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.754 ' CE2' ' CE1' ' A' ' 39' ' ' PHE . 97.6 m-85 -75.66 130.76 39.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -76.73 -153.33 5.1 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -88.15 -27.02 22.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.793 0.33 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 75' ' ' THR . 1.1 m-80 -61.19 -32.16 71.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.65 174.78 5.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -163.73 167.18 21.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 102.41 -41.96 2.01 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.503 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.505 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 57.7 p-90 -82.93 -39.66 21.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.737 0.303 . . . . 0.0 110.911 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.42 162.02 2.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -159.39 132.95 7.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.18 164.03 29.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.833 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -101.8 168.23 9.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.8 pp -65.73 126.53 28.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 51.44 80.42 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -67.2 173.55 28.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -31.22 21.04 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.388 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.93 -50.95 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.4 t -83.56 157.62 22.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.466 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 t -110.97 92.39 4.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.868 0.366 . . . . 0.0 110.857 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.8 m -132.39 118.18 19.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.78 51.95 0.73 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.452 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.14 89.64 1.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.876 0.369 . . . . 0.0 110.85 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.8 t -166.47 -49.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.85 37.58 0.31 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.61 102.42 12.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.895 0.378 . . . . 0.0 110.885 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 t -154.88 35.19 0.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.442 ' HB3' ' CD1' ' A' ' 12' ' ' TRP . 25.6 m-70 -143.26 130.75 21.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 14' ' ' PHE . 12.1 tp -62.13 -53.91 48.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.541 ' CE2' ' HG3' ' A' ' 13' ' ' GLU . 33.0 p-90 -42.79 -29.83 0.34 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.541 ' HG3' ' CE2' ' A' ' 12' ' ' TRP . 2.2 mt-10 -83.21 -35.34 25.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.575 ' CE1' ' HB2' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -66.32 -48.27 70.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p -71.73 -36.44 59.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -62.65 -42.71 99.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 21' ' ' SER . 23.8 t70 -54.11 -54.07 44.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.464 ' CD2' HD12 ' A' ' 28' ' ' ILE . 7.8 mp -43.23 -43.65 4.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.443 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . 86.4 mt -61.86 -35.73 79.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.4 mt -97.48 -2.78 41.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.962 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 17' ' ' ASP . 2.6 m -122.57 81.44 47.49 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.669 0.747 . . . . 0.0 110.827 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -3.52 12.2 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.703 2.269 . . . . 0.0 112.314 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -88.32 -27.49 21.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.1 -44.77 5.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -65.36 124.32 21.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.04 86.3 2.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.47 28.57 4.9 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.464 HD12 ' CD2' ' A' ' 18' ' ' LEU . 7.6 mt -84.25 -28.8 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.89 0.376 . . . . 0.0 111.126 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.0 mt -139.08 172.49 12.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.965 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.06 147.56 30.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.443 ' NE1' ' HB3' ' A' ' 19' ' ' LEU . 7.2 m95 -90.87 101.43 14.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -74.29 -38.07 63.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.33 104.54 1.85 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 48.5 mmm-85 -62.59 -24.43 67.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.67 -51.61 10.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.411 ' HB2' HD12 ' A' ' 38' ' ' ILE . 5.4 mt-30 -79.27 -14.87 58.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.18 22.11 76.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.472 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.411 HD12 ' HB2' ' A' ' 36' ' ' GLN . 15.0 mt -84.39 131.65 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 111.102 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.551 ' CZ ' ' HB2' ' A' ' 87' ' ' TYR . 32.5 p90 -130.38 155.93 45.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.402 ' HG2' ' N ' ' A' ' 41' ' ' VAL . 24.4 ttt180 -116.56 154.94 29.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.41 ' CG1' ' HA ' ' A' ' 44' ' ' SER . 94.3 t -102.06 83.73 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.1 t -52.95 -49.17 50.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.106 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -115.35 87.39 2.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.41 ' HA ' ' CG1' ' A' ' 41' ' ' VAL . 44.5 p -63.14 -11.01 17.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -92.21 -47.81 7.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.54 -24.6 62.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.2 tp -65.1 -44.63 88.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.926 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.94 -45.68 26.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.44 -44.33 62.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -68.98 -47.87 64.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.575 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 17.7 t-105 -53.31 -55.2 26.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.453 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -48.54 -42.08 26.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -54.86 -31.62 59.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.768 0.318 . . . . 0.0 110.927 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.5 mmm-85 -78.31 -34.59 48.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.524 ' HG3' ' CZ2' ' A' ' 51' ' ' TRP . 0.5 OUTLIER -95.77 5.96 50.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.63 31.09 19.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.425 ' C ' ' OD1' ' A' ' 57' ' ' ASN . 30.5 t-20 -100.37 82.6 2.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -51.55 -22.15 3.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -99.49 27.99 4.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.453 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 32.8 tpp -78.68 131.59 36.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.4 t -151.28 145.43 25.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -42.46 -35.53 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -57.97 -41.06 82.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -86.57 -40.26 15.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.546 HD12 ' CD1' ' A' ' 51' ' ' TRP . 3.0 tt -57.17 -43.2 82.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 52.5 p -53.73 -29.05 37.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -50.07 -41.61 48.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.87 -36.41 67.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.698 HD13 ' CE2' ' A' ' 87' ' ' TYR . 84.7 mt -60.9 -42.17 97.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.6 mmm-85 -76.99 -20.26 56.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -87.99 -14.55 38.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.457 ' CD1' ' HB ' ' A' ' 77' ' ' ILE . 4.7 m-85 -78.18 -16.0 58.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.518 ' CD2' ' HD2' ' A' ' 80' ' ' ARG . 24.1 m-85 -71.86 -13.33 61.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.929 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -85.27 -35.98 21.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.6 p -91.23 -18.33 24.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.169 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.81 -2.84 60.42 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.457 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 4.6 mm -55.42 -44.17 74.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.865 0.364 . . . . 0.0 111.128 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 69' ' ' LEU . 9.6 mt -114.73 165.21 13.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.412 ' O ' HG23 ' A' ' 81' ' ' VAL . 11.5 mt-10 -124.43 111.89 16.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.518 ' HD2' ' CD2' ' A' ' 73' ' ' TYR . 1.3 ttt180 -48.0 133.35 14.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 79' ' ' GLU . 38.9 t -124.74 141.31 45.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.18 43.32 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.404 ' CG ' HH11 ' A' ' 83' ' ' ARG . 0.3 OUTLIER -135.06 173.47 11.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.494 ' O ' HG23 ' A' ' 86' ' ' VAL . 61.8 ttt180 -103.16 131.29 50.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.405 HD13 ' HG2' ' A' ' 84' ' ' ARG . 4.8 mp 56.44 34.07 23.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 84' ' ' ARG . 85.3 t -136.46 114.96 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.698 ' CE2' HD13 ' A' ' 69' ' ' LEU . 8.4 m-85 -118.82 173.81 6.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.406 ' HE2' ' O ' ' A' ' 36' ' ' GLN . 22.6 tttt -151.84 132.62 14.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -74.88 124.79 27.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.25 -147.57 0.24 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.507 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.5 -25.5 18.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -61.54 -35.07 76.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.34 153.06 44.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -138.33 167.74 21.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.68 -42.16 2.8 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.524 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.535 ' CZ2' ' HG3' ' A' ' 97' ' ' GLN . 35.9 p-90 -75.03 -38.38 61.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.707 0.289 . . . . 0.0 110.956 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.535 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 4.8 mt-30 -56.14 153.12 9.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -163.99 86.75 0.49 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.27 166.67 0.27 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.9 tttt 39.23 72.63 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.65 23.03 13.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.2 t -143.59 113.53 7.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -112.43 83.43 0.33 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 141.67 46.05 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.656 2.237 . . . . 0.0 112.362 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 58.46 -173.52 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.8 t -90.78 -52.39 4.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.28 -46.61 4.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 0.0 110.904 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m -140.81 156.33 46.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 134.7 -151.27 20.33 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 4' ' ' GLY . 0.4 OUTLIER 35.4 86.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.902 0.382 . . . . 0.0 110.861 -179.733 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.85 106.73 15.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.56 112.77 0.91 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.32 113.31 22.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.884 0.373 . . . . 0.0 110.87 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.4 t -117.87 -57.73 2.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -83.11 137.15 34.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.603 HD21 HD21 ' A' ' 69' ' ' LEU . 6.9 tp -64.53 -56.02 16.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.512 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 22.8 p-90 -40.62 -39.68 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.512 ' HG2' ' CH2' ' A' ' 12' ' ' TRP . 0.4 OUTLIER -70.37 -40.66 73.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.7 t80 -63.82 -54.81 29.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.9 p -62.49 -37.17 78.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.49 ' HE ' ' N ' ' A' ' 17' ' ' ASP . 1.0 OUTLIER -64.26 -41.43 96.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.49 ' N ' ' HE ' ' A' ' 16' ' ' ARG . 8.3 t0 -54.93 -51.13 67.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.423 ' HB3' HD12 ' A' ' 29' ' ' LEU . 7.3 mp -45.58 -44.46 12.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.479 HD13 ' CH2' ' A' ' 31' ' ' TRP . 24.9 mt -58.53 -38.48 77.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mt -93.24 -9.77 37.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 17' ' ' ASP . 2.1 m -114.08 81.24 6.09 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.643 0.735 . . . . 0.0 110.825 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -5.43 16.21 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.655 2.237 . . . . 0.0 112.317 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -87.06 -24.6 24.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.39 -45.93 4.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -62.22 120.73 11.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.2 87.34 2.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 48.59 36.36 18.01 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.449 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.0 mt -98.45 -26.66 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 111.115 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.423 HD12 ' HB3' ' A' ' 18' ' ' LEU . 7.2 mt -142.01 168.36 19.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.466 ' CG ' ' HB3' ' A' ' 40' ' ' ARG . 0.6 OUTLIER -146.77 153.97 40.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.479 ' CH2' HD13 ' A' ' 19' ' ' LEU . 8.9 m95 -95.6 114.75 26.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -94.84 -17.16 22.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -172.72 105.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.438 ' HD3' ' CG ' ' A' ' 31' ' ' TRP . 1.2 mmt85 -70.41 -34.01 72.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -63.06 -57.17 11.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.37 -31.13 48.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.0 25.41 14.6 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.486 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.2 mt -80.48 134.68 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.907 0.384 . . . . 0.0 111.135 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.455 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 33.7 p90 -136.58 155.86 49.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.466 ' HB3' ' CG ' ' A' ' 30' ' ' GLU . 27.7 ttt180 -121.46 145.2 48.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.446 ' N ' ' HG2' ' A' ' 40' ' ' ARG . 52.4 t -92.33 90.22 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.0 t -59.57 -48.92 85.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.472 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 43.9 mttm -111.02 90.33 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.479 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 90.6 p -64.57 -33.11 75.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -76.83 -38.14 54.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.472 ' HB3' ' HB3' ' A' ' 43' ' ' LYS . . . -73.36 -37.21 66.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 24.3 tp -56.76 -50.46 72.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.32 -52.23 49.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -45.48 -48.23 13.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.7 mmm -67.21 -44.54 79.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.666 ' CD1' HD12 ' A' ' 65' ' ' LEU . 23.1 t-105 -54.86 -54.48 41.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.36 -42.22 33.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.42 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -52.04 -34.58 43.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.777 0.323 . . . . 0.0 110.916 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.0 -33.8 63.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.24 10.49 39.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.8 mttt 43.69 29.48 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.503 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 52.0 t30 -69.9 -49.85 48.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 5.3 t0 83.73 -33.42 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -106.73 28.8 7.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 47.6 tpp -77.95 137.58 38.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 62' ' ' TYR . 1.4 t -154.39 140.9 18.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.173 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.479 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 6.5 t80 -37.19 -41.98 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.907 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -50.86 -46.24 60.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -83.59 -43.11 16.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.666 HD12 ' CD1' ' A' ' 51' ' ' TRP . 2.7 tt -51.39 -48.73 62.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.967 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.0 m -45.3 -36.58 4.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.446 ' CG ' ' N ' ' A' ' 68' ' ' ALA . 2.1 ptm180 -41.89 -44.8 3.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.832 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.446 ' N ' ' CG ' ' A' ' 67' ' ' ARG . . . -73.5 -34.63 65.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.603 HD21 HD21 ' A' ' 11' ' ' LEU . 51.9 mt -63.18 -38.53 91.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.932 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.577 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 4.2 mmt-85 -84.09 -13.85 51.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -92.22 -16.8 25.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.459 ' HD2' HD12 ' A' ' 78' ' ' LEU . 9.5 m-85 -75.73 -15.91 60.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.919 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.577 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 20.6 m-85 -70.77 -17.22 62.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.942 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -86.93 -29.64 21.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 37.9 p -96.37 -8.13 33.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.42 -17.22 49.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.497 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.0 mm -43.51 -46.94 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.935 0.397 . . . . 0.0 111.155 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.459 HD12 ' HD2' ' A' ' 72' ' ' TYR . 12.5 mt -113.81 169.36 9.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.15 124.65 43.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.505 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -62.41 128.43 35.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.8 t -124.71 140.67 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -85.88 25.86 1.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.448 ' HD3' HG11 ' A' ' 86' ' ' VAL . 2.3 mtp85 -109.85 174.21 5.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -102.33 129.61 48.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.1 mp 54.0 32.44 15.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.963 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.448 HG11 ' HD3' ' A' ' 83' ' ' ARG . 51.5 t -130.88 121.17 49.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.1 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.425 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 6.4 m-85 -125.0 170.62 10.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.5 tttm -148.94 138.54 21.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 99.3 m-85 -79.03 127.92 32.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -74.35 -146.74 1.17 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.542 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.06 -19.16 20.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.777 0.322 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -67.67 -32.15 72.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.57 164.82 26.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -156.76 146.01 20.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 124.29 -40.24 1.97 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.52 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.541 ' CD2' ' N ' ' A' ' 97' ' ' GLN . 62.5 p-90 -81.28 -52.95 6.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.742 0.306 . . . . 0.0 110.944 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.541 ' N ' ' CD2' ' A' ' 96' ' ' TRP . 0.0 OUTLIER -53.9 147.91 11.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.95 167.71 17.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.23 130.27 56.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.46 124.28 25.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.14 166.02 26.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.68 100.06 3.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 171.81 147.01 5.54 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.455 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 155.37 65.93 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.647 2.231 . . . . 0.0 112.35 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 70.5 m -149.9 150.81 32.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.74 105.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.465 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.56 83.92 3.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 0.0 110.847 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.2 p -129.73 100.25 5.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.61 -75.15 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.42 124.3 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.369 . . . . 0.0 110.894 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -161.22 98.53 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.57 -125.74 3.9 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.509 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.0 m 58.8 85.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.852 0.358 . . . . 0.0 110.85 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.99 -48.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 13' ' ' GLU . 13.8 m-70 -97.64 136.97 37.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.513 HD23 ' CD2' ' A' ' 51' ' ' TRP . 1.8 tm? -36.05 -65.03 0.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 72' ' ' TYR . 14.6 p-90 -45.22 -35.94 3.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.509 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.9 OUTLIER -75.4 -36.42 60.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.893 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.499 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 2.9 t80 -63.97 -55.7 20.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.437 ' HA ' HD12 ' A' ' 18' ' ' LEU . 5.4 p -58.9 -38.56 73.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.556 ' HE ' ' N ' ' A' ' 17' ' ' ASP . 2.6 ttp180 -68.59 -54.65 15.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.556 ' N ' ' HE ' ' A' ' 16' ' ' ARG . 14.2 t70 -47.44 -38.48 13.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.499 HD11 ' CZ ' ' A' ' 14' ' ' PHE . 9.9 mt -55.9 -39.41 71.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.483 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 8.3 mt -64.92 -41.59 95.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.2 mt -80.37 -15.71 56.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.0 m -114.98 81.61 7.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 110.824 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -9.78 26.95 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.648 2.232 . . . . 0.0 112.377 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -79.5 -29.38 41.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.02 -38.28 8.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.421 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . 17.6 t30 -77.49 128.3 33.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.32 87.09 2.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.59 43.88 37.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.511 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.6 mt -96.18 -31.38 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 111.122 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 41' ' ' VAL . 4.2 mt -135.18 170.5 15.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.469 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 0.7 OUTLIER -137.96 142.52 40.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.483 ' CE2' ' HB3' ' A' ' 19' ' ' LEU . 8.7 m95 -90.84 92.86 8.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -74.77 -31.19 61.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -162.4 105.53 1.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -41.43 77.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.64 -50.66 71.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -75.67 -35.13 60.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.947 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.445 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 96.73 28.57 8.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.494 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 45.5 mt -91.0 135.28 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.905 0.383 . . . . 0.0 111.133 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -138.09 150.31 46.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -111.45 144.98 39.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.838 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.421 ' HA ' HD23 ' A' ' 29' ' ' LEU . 97.8 t -89.51 81.18 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.469 ' CG2' ' HG3' ' A' ' 30' ' ' GLU . 99.7 t -50.93 -53.91 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.415 ' CB ' ' HB3' ' A' ' 46' ' ' ALA . 31.8 mttm -114.35 92.66 4.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.6 p -64.97 -29.89 70.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -79.09 -39.13 34.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.415 ' HB3' ' CB ' ' A' ' 43' ' ' LYS . . . -70.25 -37.04 74.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.088 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 27.6 tp -60.57 -46.91 88.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.3 -48.33 61.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -50.7 -47.05 59.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.467 ' CE ' HD21 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -69.1 -43.24 74.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.846 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.513 ' CD2' HD23 ' A' ' 11' ' ' LEU . 26.7 t-105 -57.12 -49.22 76.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.48 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -50.04 -49.02 37.62 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -49.85 -35.69 24.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.329 . . . . 0.0 110.909 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -69.91 -34.76 73.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.79 14.41 32.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 52.0 31.86 9.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.443 ' OD1' ' C ' ' A' ' 59' ' ' ARG . 32.1 t-20 -96.9 81.68 3.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -51.09 -22.71 2.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.443 ' C ' ' OD1' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -105.11 40.04 1.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.902 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.48 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 42.0 tpp -87.64 131.39 34.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.3 t -151.54 150.72 30.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.149 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -42.29 -38.31 1.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -54.29 -41.18 68.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -87.67 -41.48 13.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.432 HD12 ' CD1' ' A' ' 51' ' ' TRP . 5.9 tt -54.82 -41.62 70.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.4 p -54.82 -31.44 59.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.14 -38.43 5.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.496 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -79.29 -33.97 42.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.066 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.21 -43.26 99.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.435 ' HA ' ' CD2' ' A' ' 73' ' ' TYR . 2.0 mmt180 -79.79 -24.13 41.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.561 ' O ' ' CD1' ' A' ' 71' ' ' TYR . 26.2 t80 -84.19 -7.82 59.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 12' ' ' TRP . 6.9 m-85 -85.44 -17.36 36.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.573 ' CE1' ' HB3' ' A' ' 78' ' ' LEU . 39.8 m-85 -77.48 -11.17 59.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -77.01 -44.0 32.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.924 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.2 p -88.73 -30.31 19.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.425 ' C ' ' HB2' ' A' ' 92' ' ' ASN . . . 118.88 -3.54 14.61 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.64 HD13 ' HB3' ' A' ' 92' ' ' ASN . 21.5 mm -49.71 -48.73 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 111.122 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.573 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 11.8 mt -111.82 164.21 13.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.469 ' O ' HG23 ' A' ' 81' ' ' VAL . 8.8 mt-10 -120.27 111.61 18.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.402 ' N ' ' CE1' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -45.07 113.33 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 79' ' ' GLU . 45.2 t -103.08 145.04 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -102.89 38.49 1.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.53 -176.9 3.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.808 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -95.66 118.48 32.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.885 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.6 mm? 45.9 41.01 7.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 84' ' ' ARG . 97.4 t -131.04 110.82 18.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -108.27 172.12 7.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -151.93 137.41 17.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 93.9 m-85 -77.68 132.86 38.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.844 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.37 -146.71 3.78 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.445 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.7 pttt -95.43 -25.23 16.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.798 0.332 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.64 ' HB3' HD13 ' A' ' 77' ' ' ILE . 0.9 OUTLIER -59.19 -37.02 76.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.457 ' HB1' ' CZ3' ' A' ' 12' ' ' TRP . . . -71.78 177.5 4.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -162.54 177.68 9.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.96 -42.65 2.86 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.493 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.445 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 43.7 p-90 -83.15 -42.1 17.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.731 0.301 . . . . 0.0 110.925 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.434 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 0.7 OUTLIER -52.82 155.19 2.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.73 160.82 21.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 62.64 133.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.24 150.85 37.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.0 tp -90.91 -47.99 7.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.58 101.59 3.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -112.4 147.62 18.29 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.523 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -32.61 18.14 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.719 2.28 . . . . 0.0 112.334 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.55 141.42 37.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.7 p -50.71 -53.1 34.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.511 179.962 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m -54.33 102.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.839 0.352 . . . . 0.0 110.889 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.47 104.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.879 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.55 -111.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.497 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -107.48 136.75 46.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.873 0.368 . . . . 0.0 110.889 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.9 t -82.65 -53.34 6.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.836 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.43 164.45 25.16 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.444 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.11 124.41 31.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.827 0.346 . . . . 0.0 110.889 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.89 132.43 5.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 65.34 131.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.557 HD23 ' C ' ' A' ' 11' ' ' LEU . 7.1 tt -68.06 -53.53 24.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.591 ' CZ2' ' HG3' ' A' ' 13' ' ' GLU . 28.5 p-90 -40.02 -32.3 0.16 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.591 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -82.39 -37.55 25.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.476 ' CD2' ' N ' ' A' ' 15' ' ' VAL . 2.3 t80 -57.05 -60.87 2.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.476 ' N ' ' CD2' ' A' ' 14' ' ' PHE . 3.0 p -60.92 -39.7 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.428 ' HE ' ' N ' ' A' ' 17' ' ' ASP . 0.5 OUTLIER -58.23 -41.66 84.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 21' ' ' SER . 7.1 t70 -53.39 -51.69 61.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.488 ' HB3' HD12 ' A' ' 29' ' ' LEU . 7.6 mp -44.82 -42.33 7.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.476 HD13 ' CH2' ' A' ' 31' ' ' TRP . 53.4 mt -61.81 -39.47 91.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 mt -92.06 -6.55 50.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 17' ' ' ASP . 2.3 m -121.56 82.37 40.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.657 0.741 . . . . 0.0 110.851 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -9.35 25.92 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.711 2.274 . . . . 0.0 112.337 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -81.53 -26.51 35.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.89 -44.98 5.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -66.24 124.19 22.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.825 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.3 t -115.24 86.59 2.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.82 30.16 14.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.7 mt -87.48 -30.32 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 111.123 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.488 HD12 ' HB3' ' A' ' 18' ' ' LEU . 1.1 mt -137.47 172.57 12.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -145.96 145.41 30.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.478 ' CD2' ' HD2' ' A' ' 34' ' ' ARG . 8.0 m95 -89.8 100.97 13.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -81.76 -24.42 36.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -166.31 104.86 0.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.478 ' HD2' ' CD2' ' A' ' 31' ' ' TRP . 55.2 mmm-85 -69.14 -33.01 72.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -69.4 -50.83 42.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -78.3 -29.02 47.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.57 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 91.94 22.19 31.2 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.503 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 22.6 mt -83.38 137.42 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 111.102 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.671 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 37.9 p90 -139.98 152.65 46.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.3 ttt85 -112.28 148.62 33.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 85.4 t -97.25 79.23 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.2 t -48.93 -47.27 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -116.46 93.65 4.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.473 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 93.4 p -66.91 -27.51 67.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -79.15 -40.16 31.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.12 -36.87 77.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.7 tp -61.72 -41.66 97.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.51 -47.13 50.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -53.89 -49.58 68.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.1 -54.55 39.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.537 ' NE1' HD12 ' A' ' 11' ' ' LEU . 23.1 t-105 -48.8 -54.46 15.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.477 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -47.08 -44.86 19.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.467 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -54.15 -33.8 58.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.811 0.338 . . . . 0.0 110.899 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -70.79 -36.16 72.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.99 10.97 37.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 57.13 23.63 8.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -94.27 92.81 7.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -62.44 -19.22 63.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -101.13 33.57 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.477 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 50.5 tpp -83.78 131.98 34.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.0 t -150.19 146.42 26.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.473 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 3.4 t80 -39.67 -45.63 1.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -51.16 -41.27 60.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -82.97 -46.51 12.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.519 HD12 ' CD1' ' A' ' 51' ' ' TRP . 4.3 tt -50.94 -46.46 60.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 94.4 p -44.64 -33.62 1.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.815 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 68' ' ' ALA . 2.9 ptt-85 -46.58 -43.15 16.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.431 ' HB3' HD13 ' A' ' 11' ' ' LEU . . . -74.67 -34.61 62.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.405 ' HA ' HD12 ' A' ' 78' ' ' LEU . 59.2 mt -63.77 -43.01 97.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.582 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -74.8 -19.88 60.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -87.46 -15.35 37.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.483 ' HB2' HD12 ' A' ' 78' ' ' LEU . 8.6 m-85 -79.41 -10.48 59.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.582 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 23.2 m-85 -72.57 -55.24 7.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.01 -43.15 73.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.0 p -74.2 -20.73 60.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 95.47 -11.51 68.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.517 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.472 HD13 ' HB3' ' A' ' 92' ' ' ASN . 14.9 mm -50.72 -42.69 23.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.883 0.373 . . . . 0.0 111.105 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.483 HD12 ' HB2' ' A' ' 72' ' ' TYR . 11.3 mt -115.15 166.47 11.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.45 122.59 38.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -50.3 130.92 23.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.596 HG11 HG12 ' A' ' 86' ' ' VAL . 32.9 t -121.91 141.38 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -102.21 33.23 3.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.513 ' H ' HG12 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -119.43 177.75 4.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.464 ' O ' HG23 ' A' ' 86' ' ' VAL . 3.0 tpt180 -93.44 123.91 37.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.7 mp 48.47 36.56 7.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.596 HG12 HG11 ' A' ' 81' ' ' VAL . 33.8 t -127.46 115.06 38.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.171 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.524 ' HA ' HG21 ' A' ' 81' ' ' VAL . 4.1 m-85 -116.06 170.86 8.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -148.9 130.19 14.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.671 ' CE2' ' CE1' ' A' ' 39' ' ' PHE . 98.6 m-85 -73.29 130.21 39.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -74.64 -158.88 6.49 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.69 -32.28 25.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.776 0.322 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.472 ' HB3' HD13 ' A' ' 77' ' ' ILE . 3.1 m-80 -57.51 -35.05 69.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.41 104.88 7.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.064 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -104.27 120.9 42.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 159.03 -37.23 0.5 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.57 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 62.9 p-90 -86.16 -52.81 5.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.729 0.3 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.42 ' N ' ' CG ' ' A' ' 96' ' ' TRP . 0.0 OUTLIER -52.7 149.96 5.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -68.93 152.72 44.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -132.68 145.51 51.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -56.41 161.87 2.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.5 mp -137.69 141.92 41.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.94 91.57 5.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -176.24 76.47 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.45 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 146.17 59.24 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.74 -59.05 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.82 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 97.4 p -154.1 139.67 17.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.469 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.7 p -172.29 175.46 3.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 110.823 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.3 t -73.74 -49.91 23.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.848 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.0 60.68 4.08 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.467 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.62 106.69 4.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.913 0.387 . . . . 0.0 110.881 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t -171.99 -43.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.825 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.79 -68.09 0.59 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.453 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.3 t 47.6 97.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.378 . . . . 0.0 110.879 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.84 166.67 14.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.403 ' HB3' ' CD1' ' A' ' 12' ' ' TRP . 23.1 m-70 62.7 123.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.511 HD23 ' HB3' ' A' ' 68' ' ' ALA . 34.4 tp -58.25 -54.97 40.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.965 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.574 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 17.1 p-90 -40.11 -38.31 0.73 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.574 ' HG2' ' CH2' ' A' ' 12' ' ' TRP . 0.5 OUTLIER -72.44 -41.32 66.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.4 t80 -63.63 -50.96 67.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.418 ' HA ' HD12 ' A' ' 18' ' ' LEU . 7.7 p -63.15 -30.38 49.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 1.6 ttp180 -75.81 -47.43 25.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.05 -29.47 30.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.461 ' CD2' ' HB2' ' A' ' 25' ' ' ASN . 8.1 mt -66.0 -44.41 84.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.472 HD22 ' CE2' ' A' ' 31' ' ' TRP . 7.1 mt -59.0 -35.1 72.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.3 mt -86.82 -13.0 46.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.5 m -116.77 80.81 11.18 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.656 0.741 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -5.95 17.43 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.321 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -85.22 -25.3 27.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.12 -39.46 7.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.461 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . 11.1 t30 -77.16 130.99 38.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.85 86.57 2.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 48.26 37.64 18.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.1 mt -91.6 -23.85 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.87 0.367 . . . . 0.0 111.122 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.614 HD23 ' HA ' ' A' ' 41' ' ' VAL . 9.2 mt -141.81 167.23 22.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -139.65 149.63 43.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.472 ' CE2' HD22 ' A' ' 19' ' ' LEU . 9.9 m95 -96.13 98.02 10.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -79.57 -25.48 41.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -167.84 102.5 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.8 tpt85 -68.01 -39.2 83.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.2 -49.62 76.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -79.09 -32.0 44.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.08 27.25 11.16 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.459 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 29.2 mt -88.72 140.22 16.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.906 0.384 . . . . 0.0 111.112 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 87' ' ' TYR . 22.8 p90 -142.42 153.15 43.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -115.67 144.49 43.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.614 ' HA ' HD23 ' A' ' 29' ' ' LEU . 58.7 t -91.53 84.17 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.9 t -55.04 -52.37 44.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -111.2 90.79 3.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.575 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 89.1 p -65.03 -29.54 70.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -73.03 -50.08 25.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.59 -37.76 88.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 32.1 tp -55.67 -53.1 60.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.527 ' HA ' HD13 ' A' ' 65' ' ' LEU . . . -66.05 -50.44 64.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.65 -48.44 49.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.9 mmm -66.37 -46.05 78.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 23.6 t-105 -54.21 -51.76 63.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.25 -46.57 34.89 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.476 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -50.63 -30.87 14.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.79 0.329 . . . . 0.0 110.901 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -74.53 -37.39 63.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -93.97 3.35 55.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.42 47.36 14.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.502 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 47.3 t-20 -91.52 -43.93 9.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 6.4 t0 83.71 -33.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.3 mtt-85 -104.91 33.93 3.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 48.6 tpp -84.16 132.81 34.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 62' ' ' TYR . 6.8 t -150.84 143.4 24.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.575 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 6.4 t80 -34.77 -42.46 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.47 -49.78 54.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 61' ' ' THR . 8.9 mttt -79.78 -42.78 23.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.527 HD13 ' HA ' ' A' ' 48' ' ' ALA . 6.8 tt -52.12 -40.83 61.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 54.7 p -54.22 -30.37 49.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.844 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -48.03 -39.62 20.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.591 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -75.65 -35.66 60.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.56 ' HB3' ' CE2' ' A' ' 87' ' ' TYR . 44.3 mt -63.68 -41.08 98.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.579 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -84.65 -20.85 30.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.524 ' CE1' ' HD2' ' A' ' 74' ' ' LYS . 15.7 t80 -83.94 -12.99 54.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.591 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 10.9 m-85 -83.27 -20.1 35.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.579 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 21.3 m-85 -63.45 -40.9 98.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.524 ' HD2' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -62.53 -36.47 82.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.0 p -87.88 -17.54 31.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.158 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.64 -20.35 48.97 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.517 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.0 mm -38.41 -45.48 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 111.102 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.462 ' HB2' ' CB ' ' A' ' 72' ' ' TYR . 0.8 OUTLIER -109.18 -177.4 3.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 88' ' ' LYS . 0.4 OUTLIER -125.05 128.03 47.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -70.0 101.52 1.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 51.3 t -106.72 137.28 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -94.49 44.25 1.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -117.77 -174.36 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.635 ' O ' HG23 ' A' ' 86' ' ' VAL . 3.7 tpt180 -97.2 119.55 35.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.7 mp 44.0 41.91 4.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 84' ' ' ARG . 41.6 t -126.77 108.82 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 69' ' ' LEU . 10.5 m-85 -113.51 168.52 9.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 79' ' ' GLU . 6.7 tttm -151.89 137.52 17.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 89.5 m-85 -74.69 123.84 25.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.49 -147.45 0.26 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.22 -22.17 18.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.782 0.325 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -67.28 -30.59 70.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.73 130.07 40.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 27.2 p80 -128.55 125.18 37.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 145.5 -43.13 0.94 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.573 ' CD2' ' N ' ' A' ' 97' ' ' GLN . 65.7 p-90 -80.69 -54.05 5.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.699 0.285 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.573 ' N ' ' CD2' ' A' ' 96' ' ' TRP . 0.0 OUTLIER -51.79 157.5 1.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -101.68 146.6 27.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 13.8 t70 56.62 161.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -151.02 157.11 42.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 178.72 173.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.3 t -161.35 90.49 0.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 140.25 152.01 5.73 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.461 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -8.98 24.98 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.724 2.283 . . . . 0.0 112.35 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.94 130.07 42.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 27.7 t -81.91 110.35 17.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.458 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.52 142.13 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.93 0.395 . . . . 0.0 110.842 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t 69.15 156.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.45 -178.54 16.37 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.468 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.9 p -167.39 110.41 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.364 . . . . 0.0 110.874 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.89 128.33 42.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.886 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.52 151.72 20.96 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.452 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 9' ' ' SER . 15.1 m -57.25 -52.16 66.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.37 . . . . 0.0 110.848 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 8' ' ' SER . 0.4 OUTLIER 78.65 -58.54 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 -179.81 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -86.41 137.42 32.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.557 HD23 ' CE2' ' A' ' 51' ' ' TRP . 1.8 tm? -49.96 -55.93 12.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.465 ' CZ3' ' HB1' ' A' ' 93' ' ' ALA . 30.4 p-90 -49.86 -39.6 39.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.07 -34.96 75.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.529 ' CE1' ' HB2' ' A' ' 51' ' ' TRP . 2.2 t80 -66.65 -51.81 51.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.45 ' HB ' HD11 ' A' ' 47' ' ' LEU . 2.4 p -64.37 -37.13 79.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 8.3 ttp180 -71.07 -47.48 58.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -50.99 -40.04 57.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.44 ' CD2' ' HB2' ' A' ' 25' ' ' ASN . 14.6 mt -51.42 -41.45 60.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.523 HD22 ' CE2' ' A' ' 31' ' ' TRP . 3.8 mt -64.98 -41.35 95.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.3 mt -79.78 -19.14 49.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.3 m -113.61 80.59 4.96 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.59 0.709 . . . . 0.0 110.853 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -13.49 34.83 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.726 2.284 . . . . 0.0 112.355 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -74.47 -28.4 61.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.88 -44.36 5.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.44 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . 24.1 t30 -69.03 127.28 32.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.23 85.16 2.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 52.94 38.16 54.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.421 HD12 HD22 ' A' ' 18' ' ' LEU . 53.4 mt -89.81 -35.61 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.902 0.382 . . . . 0.0 111.143 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.438 HD21 HG23 ' A' ' 15' ' ' VAL . 2.2 mt -132.58 172.6 12.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.46 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 1.0 OUTLIER -145.31 143.63 30.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.901 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.523 ' CE2' HD22 ' A' ' 19' ' ' LEU . 11.2 m95 -88.63 96.35 10.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.941 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -77.2 -26.22 52.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -166.25 106.28 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.52 ' HD3' ' CG ' ' A' ' 31' ' ' TRP . 5.0 mmm180 -68.11 -42.77 79.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -60.39 -51.97 67.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -75.57 -32.46 60.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.413 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 92.8 26.54 16.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.0 mt -87.68 135.77 24.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.827 0.346 . . . . 0.0 111.174 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.491 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 34.8 p90 -137.09 148.9 47.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -110.14 142.55 41.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.411 ' O ' HD23 ' A' ' 85' ' ' LEU . 86.9 t -91.55 83.2 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.46 ' CG2' ' HG3' ' A' ' 30' ' ' GLU . 58.7 t -54.38 -49.6 63.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -113.22 104.28 12.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 97.7 p -78.84 -22.23 46.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -85.4 -30.43 23.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.835 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.16 -38.39 36.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.45 HD11 ' HB ' ' A' ' 15' ' ' VAL . 29.9 tp -61.8 -42.39 98.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.04 -47.72 34.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.055 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.6 mttp -53.59 -50.96 64.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.419 ' CE ' HD21 ' A' ' 18' ' ' LEU . 1.1 mmm -65.34 -44.09 88.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.557 ' CE2' HD23 ' A' ' 11' ' ' LEU . 22.1 t-105 -56.06 -50.4 71.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.481 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -50.23 -46.43 43.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.499 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -52.24 -30.86 29.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.8 0.333 . . . . 0.0 110.896 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -72.53 -39.59 67.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.72 11.28 34.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.37 32.36 20.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.481 ' OD1' ' N ' ' A' ' 59' ' ' ARG . 32.0 t-20 -100.63 89.43 3.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.91 -15.04 10.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.481 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 1.7 mtt180 -108.96 36.59 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.481 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 47.9 tpp -84.91 135.93 33.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.0 t -154.96 150.29 27.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -41.33 -46.12 3.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -47.86 -39.96 20.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -87.51 -47.84 8.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 tt -49.35 -39.79 33.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.9 m -57.44 -31.25 65.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -45.38 -40.24 7.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.43 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -78.35 -32.93 49.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.409 HD21 HD11 ' A' ' 11' ' ' LEU . 63.8 mt -65.99 -40.53 91.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.536 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -82.66 -18.06 42.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.473 ' O ' ' CD1' ' A' ' 71' ' ' TYR . 19.6 t80 -87.51 -17.45 32.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.469 ' CD1' ' HB ' ' A' ' 77' ' ' ILE . 7.2 m-85 -77.86 -17.31 57.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.536 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 25.7 m-85 -69.18 -3.2 12.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -98.87 -36.0 9.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.925 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.2 p -92.36 -8.45 44.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.3 -18.86 53.13 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.478 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.469 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 3.6 mm -39.08 -45.46 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.891 0.376 . . . . 0.0 111.152 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.3 mt -117.71 166.17 12.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.949 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.446 ' O ' HG23 ' A' ' 81' ' ' VAL . 0.3 OUTLIER -118.86 117.02 27.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.433 ' HA ' ' CE1' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -52.49 115.99 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 -179.892 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 79' ' ' GLU . 47.8 t -106.14 147.13 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.43 39.73 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.1 mtp85 -129.1 179.01 6.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.828 ' O ' HG23 ' A' ' 86' ' ' VAL . 15.4 ttt85 -98.6 132.08 44.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.411 HD23 ' O ' ' A' ' 41' ' ' VAL . 10.1 mp 43.88 42.59 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 84' ' ' ARG . 86.1 t -140.3 104.45 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.408 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 15.3 m-85 -109.97 171.88 7.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -149.3 126.54 11.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 95.5 m-85 -68.17 133.14 48.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -78.19 -150.6 4.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.42 -15.97 25.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.339 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.06 -32.81 72.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.465 ' HB1' ' CZ3' ' A' ' 12' ' ' TRP . . . -77.19 140.46 40.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.095 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -124.3 149.13 46.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 116.95 -39.64 2.61 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.491 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.451 ' CZ2' ' HG3' ' A' ' 97' ' ' GLN . 29.5 p-90 -82.53 -42.26 18.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.745 0.307 . . . . 0.0 110.94 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.451 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 0.3 OUTLIER -51.68 150.91 3.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -91.12 149.1 21.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 61.21 137.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.33 86.04 2.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.411 HD12 ' O ' ' A' ' 102' ' ' SER . 2.0 pp -106.63 130.02 54.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.411 ' O ' HD12 ' A' ' 101' ' ' LEU . 41.6 m -79.11 175.51 10.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.819 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.69 -158.18 8.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.518 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 105' ' ' SER . 53.3 Cg_endo -69.76 106.52 1.68 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.712 2.275 . . . . 0.0 112.304 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 104' ' ' PRO . 89.0 p -34.6 -49.72 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 107' ' ' GLY . 77.9 p 45.48 92.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 106' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.5 81.08 9.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 0.0 110.875 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.5 p -157.03 129.8 7.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.874 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.81 -94.05 0.51 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.97 41.42 0.66 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.86 0.362 . . . . 0.0 110.88 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.85 -42.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.844 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.2 58.35 0.43 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.8 t -136.57 72.86 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.935 0.397 . . . . 0.0 110.843 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.49 83.58 1.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.84 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -152.33 145.72 24.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.816 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 14' ' ' PHE . 8.6 tp -75.86 -55.62 5.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.544 ' CZ2' ' HG3' ' A' ' 13' ' ' GLU . 17.8 p-90 -40.25 -36.95 0.58 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.544 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.7 OUTLIER -75.45 -40.76 57.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.7 t80 -60.43 -49.96 75.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.8 p -68.52 -38.58 79.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.162 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 1.6 ttp180 -65.22 -38.66 91.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -57.46 -45.48 84.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.466 ' HB3' HD12 ' A' ' 29' ' ' LEU . 4.9 mp -49.53 -43.39 45.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.518 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 19.2 mt -59.13 -31.24 68.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mt -99.61 -6.95 26.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -118.73 82.09 19.76 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.691 0.758 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -6.66 19.15 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.713 2.275 . . . . 0.0 112.322 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -83.75 -28.54 28.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.36 -43.88 5.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -66.39 123.05 18.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.6 t -114.76 88.28 2.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 46.13 34.0 5.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.6 mt -90.01 -36.29 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.854 0.359 . . . . 0.0 111.137 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.466 HD12 ' HB3' ' A' ' 18' ' ' LEU . 1.9 mt -130.63 169.82 15.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -145.42 147.73 32.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.54 ' CD2' ' HD2' ' A' ' 34' ' ' ARG . 9.2 m95 -90.47 102.0 14.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.72 -31.86 46.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -166.82 90.69 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.838 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.54 ' HD2' ' CD2' ' A' ' 31' ' ' TRP . 2.7 tpt180 -51.35 -34.63 34.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -67.81 -46.99 70.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -84.98 -3.85 58.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.451 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 63.56 24.1 67.52 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 59.8 mt -88.97 125.37 42.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 111.135 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.424 ' CZ ' ' HB2' ' A' ' 87' ' ' TYR . 13.8 p90 -128.4 160.27 32.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -122.11 153.86 38.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.4 t -102.83 86.0 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.2 t -55.07 -38.76 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.2 mttm -118.37 112.65 20.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.572 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 87.5 p -88.66 -20.09 25.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.33 -29.35 18.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.19 -32.42 29.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.507 HD23 ' CE1' ' A' ' 62' ' ' TYR . 28.7 tp -61.13 -50.46 73.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.49 ' HA ' HD13 ' A' ' 65' ' ' LEU . . . -64.24 -46.74 82.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.073 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.3 mttp -53.16 -49.64 66.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.1 mmm -60.56 -45.48 93.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.892 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.414 ' CB ' HD12 ' A' ' 65' ' ' LEU . 30.0 t-105 -58.15 -54.78 43.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.485 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -43.62 -42.29 5.92 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -53.41 -41.66 66.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.446 ' HD2' ' N ' ' A' ' 54' ' ' ARG . 15.4 mmm180 -68.27 -34.5 76.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -101.77 18.3 20.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER 36.44 33.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.895 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' LYS . 26.1 t-20 -96.42 93.26 6.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -59.66 -10.73 3.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.419 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 3.1 mmt180 -106.28 21.36 17.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.485 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 39.8 tpp -73.21 136.11 44.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 64' ' ' LYS . 2.4 p -153.23 144.99 23.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.572 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 7.4 t80 -41.92 -29.75 0.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.64 -42.13 78.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.419 ' CE ' ' O ' ' A' ' 59' ' ' ARG . 2.8 mtpp -82.33 -29.6 30.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.49 HD13 ' HA ' ' A' ' 48' ' ' ALA . 7.3 tt -69.48 -42.55 74.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.1 m -61.49 -22.61 65.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.5 ptt180 -50.49 -33.55 21.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -86.53 -26.72 24.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 98.3 mt -64.89 -35.56 81.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.565 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -86.16 -25.92 25.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -75.93 -15.22 60.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.935 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.452 ' CD1' ' HB ' ' A' ' 77' ' ' ILE . 8.2 m-85 -78.23 -18.75 54.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.929 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.565 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 23.6 m-85 -68.99 -14.11 62.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.9 mtpp -86.97 -40.2 15.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 29.0 p -86.66 -14.93 41.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.62 -12.99 65.91 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.452 ' HB ' ' CD1' ' A' ' 72' ' ' TYR . 9.7 mm -44.42 -46.21 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.866 0.365 . . . . 0.0 111.085 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.2 mt -113.92 172.44 6.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -125.75 125.33 42.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.06 122.52 13.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.5 t -114.91 145.94 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.02 28.72 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.889 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -135.29 136.77 41.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.707 ' O ' HG23 ' A' ' 86' ' ' VAL . 6.8 ptt-85 -67.95 161.46 26.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 84' ' ' ARG . 8.6 mp 37.02 30.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 84' ' ' ARG . 70.9 t -137.76 107.1 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.424 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 16.6 m-85 -114.74 168.3 10.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -149.67 127.6 11.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 97.6 m-85 -67.56 135.09 52.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -81.22 -147.07 5.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.462 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.68 -24.38 19.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.83 0.348 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -64.68 -31.57 72.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.32 153.91 39.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.1 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -139.81 166.54 24.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 96.39 -39.22 2.87 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.451 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 23.3 p-90 -85.43 -36.53 20.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.68 0.276 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -52.88 160.46 0.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.922 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.43 154.34 17.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -122.92 169.28 11.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.42 ' HD3' ' N ' ' A' ' 100' ' ' LYS . 0.0 OUTLIER -95.07 159.9 14.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.88 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.41 HD12 ' C ' ' A' ' 101' ' ' LEU . 1.9 pp -119.15 128.64 54.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.5 t -170.13 -59.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -90.71 146.45 18.47 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.486 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 114.94 3.88 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.656 2.237 . . . . 0.0 112.343 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.65 163.67 30.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 72.8 m -79.89 168.05 19.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.1 p -105.59 85.06 2.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 110.861 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.8 p -138.84 41.93 2.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.7 177.99 47.75 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.1 p -68.5 -36.0 78.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 110.892 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.1 137.33 3.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.855 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.46 144.8 4.17 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.462 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.23 168.63 19.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 0.0 110.857 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.5 m -115.54 -40.9 3.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.831 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.439 ' HB3' ' CD1' ' A' ' 12' ' ' TRP . 27.0 m-70 -90.69 127.0 36.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 14' ' ' PHE . 26.4 tp -56.61 -56.34 22.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.565 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 29.5 p-90 -40.19 -35.15 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.565 ' HG2' ' CH2' ' A' ' 12' ' ' TRP . 1.0 OUTLIER -75.46 -38.88 59.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -64.24 -52.82 56.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.431 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 6.2 p -63.36 -36.06 74.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 4.1 ttp180 -69.17 -47.85 63.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -53.15 -33.58 53.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.523 HD22 ' HB2' ' A' ' 25' ' ' ASN . 16.4 mt -63.55 -46.36 86.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.492 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 13.0 mt -59.71 -30.98 69.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.7 mt -90.94 -15.82 29.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.9 m -114.7 81.31 7.06 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.628 0.728 . . . . 0.0 110.817 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -2.29 9.94 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -88.52 -25.6 22.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.35 -41.63 6.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.523 ' HB2' HD22 ' A' ' 18' ' ' LEU . 7.1 t30 -72.94 132.44 43.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.412 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 1.8 t -116.44 88.22 2.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 45.57 42.28 10.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.458 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.493 ' CD1' ' SD ' ' A' ' 50' ' ' MET . 23.1 mt -95.1 -29.85 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 111.129 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.631 HD23 ' HA ' ' A' ' 41' ' ' VAL . 2.1 mt -141.93 168.18 20.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -139.8 147.53 40.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.492 ' CE2' ' HB3' ' A' ' 19' ' ' LEU . 10.5 m95 -86.77 102.18 14.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 3.3 mm-40 -80.62 -29.87 36.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.547 ' CG ' ' NE2' ' A' ' 36' ' ' GLN . 47.4 m-20 -162.06 104.22 1.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.5 mmm-85 -65.95 -41.62 91.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -54.63 38.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.547 ' NE2' ' CG ' ' A' ' 33' ' ' ASP . 17.1 mt-30 -75.11 -26.49 59.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.448 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 85.93 25.53 37.53 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.481 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 38.4 mt -86.78 138.26 19.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.885 0.374 . . . . 0.0 111.09 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 14.9 p90 -142.32 158.24 43.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.9 ttt180 -119.36 143.04 47.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.819 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.631 ' HA ' HD23 ' A' ' 29' ' ' LEU . 59.9 t -87.52 85.92 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.8 t -55.19 -50.43 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -111.69 85.45 2.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.534 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 81.1 p -64.22 -16.08 61.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -84.65 -53.39 5.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.32 -30.46 71.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.455 HD23 ' CE1' ' A' ' 62' ' ' TYR . 8.6 tp -60.65 -49.3 78.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.93 -50.99 60.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -49.8 -50.61 44.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.493 ' SD ' ' CD1' ' A' ' 28' ' ' ILE . 60.3 mtp -60.63 -49.19 78.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.722 ' CD1' HD12 ' A' ' 65' ' ' LEU . 26.9 t-105 -53.41 -47.39 69.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.469 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -52.13 -46.37 56.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.538 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -53.8 -30.65 45.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.792 0.329 . . . . 0.0 110.915 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -74.49 -40.03 62.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.39 5.18 52.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 52' ' ' GLY . 8.0 mtmt 60.08 29.67 19.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -97.0 85.46 3.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.79 -19.19 3.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -103.44 32.22 3.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.469 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 46.1 tpp -79.45 131.91 36.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.415 HG23 ' H ' ' A' ' 64' ' ' LYS . 14.6 t -152.02 138.54 18.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.078 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.534 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 4.0 t80 -38.86 -35.88 0.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -56.88 -45.15 82.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.415 ' H ' HG23 ' A' ' 61' ' ' THR . 56.7 mttm -84.98 -39.91 17.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.722 HD12 ' CD1' ' A' ' 51' ' ' TRP . 4.7 tt -55.44 -45.43 76.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 64.0 p -50.83 -32.48 20.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.41 -41.28 13.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.01 -32.24 61.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.072 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.451 ' HA ' ' CD1' ' A' ' 78' ' ' LEU . 57.2 mt -65.43 -33.36 75.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.562 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 4.7 mmm180 -87.89 -20.95 25.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -83.63 -21.44 32.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -70.68 -28.53 64.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.562 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 24.8 m-85 -57.95 -28.38 64.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -68.79 -37.2 79.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.1 p -90.77 -23.83 20.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.19 -22.18 27.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.468 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.663 HD13 ' HB3' ' A' ' 92' ' ' ASN . 25.2 mm -38.24 -45.06 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.369 . . . . 0.0 111.125 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.482 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 9.9 mt -111.93 165.93 11.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.493 ' O ' HG23 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -119.72 123.09 42.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.41 125.03 16.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.85 HG12 ' H ' ' A' ' 83' ' ' ARG . 92.8 t -123.31 138.42 53.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -101.67 30.65 4.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.85 ' H ' HG12 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -112.07 175.85 5.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.806 ' O ' HG23 ' A' ' 86' ' ' VAL . 4.9 tpt180 -84.45 121.31 27.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.8 mp 41.94 40.84 1.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 84' ' ' ARG . 75.2 t -121.92 110.49 27.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -114.38 168.18 10.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -150.55 136.51 18.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 92.9 m-85 -74.47 124.87 27.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -71.47 -155.85 2.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.45 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.19 -22.57 22.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.663 ' HB3' HD13 ' A' ' 77' ' ' ILE . 0.8 OUTLIER -64.81 -34.83 79.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.95 162.28 29.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -146.49 178.78 8.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.85 -35.67 4.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.5 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.448 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 41.4 p-90 -88.11 -41.96 12.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.733 0.302 . . . . 0.0 110.942 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -46.81 157.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -142.27 119.25 11.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.88 165.87 11.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -50.79 172.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.8 135.34 34.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.89 151.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 139.48 -159.51 25.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.452 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 120.67 7.42 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.691 2.261 . . . . 0.0 112.303 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 50.6 p -156.14 161.74 40.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.2 t 42.18 47.09 3.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.1 t -143.63 42.5 1.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.31 110.65 21.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.26 -174.48 50.18 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.462 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.0 p -161.2 130.22 4.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.892 0.377 . . . . 0.0 110.865 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.07 113.33 26.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.06 -56.39 0.21 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.5 p -108.81 166.11 11.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.909 0.385 . . . . 0.0 110.847 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.5 m -158.48 119.33 3.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.841 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -110.82 130.27 55.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.424 ' O ' HD12 ' A' ' 11' ' ' LEU . 3.6 tp -53.05 -56.43 16.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.524 ' CZ2' ' HG3' ' A' ' 13' ' ' GLU . 17.6 p-90 -41.78 -36.85 1.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.524 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -76.61 -41.22 46.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -61.11 -57.87 10.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.3 p -58.55 -40.38 78.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.126 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.51 ' HB2' ' CE1' ' A' ' 89' ' ' PHE . 4.9 ttp180 -62.29 -43.46 98.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.57 -51.05 61.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.9 mp -44.81 -44.58 9.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.441 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . 41.3 mt -57.56 -36.51 71.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.7 mt -94.61 -6.13 44.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -120.42 82.2 31.85 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.638 0.732 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -10.71 29.24 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.256 . . . . 0.0 112.364 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -79.84 -24.73 41.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.39 -45.22 4.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -65.24 119.88 11.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.11 85.34 2.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.55 37.02 25.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.45 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.0 mt -97.42 -23.21 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.874 0.368 . . . . 0.0 111.15 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.2 mt -142.27 167.77 21.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -146.76 146.97 30.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.441 ' NE1' ' HB3' ' A' ' 19' ' ' LEU . 7.6 m95 -90.44 98.83 12.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -77.67 -30.76 52.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.87 105.47 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -40.38 83.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -54.02 50.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -76.17 -30.09 57.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.496 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 91.27 27.2 18.94 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.443 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.7 mt -88.98 132.94 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.895 0.379 . . . . 0.0 111.116 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.54 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 33.6 p90 -131.68 158.55 40.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.436 ' HG2' ' N ' ' A' ' 41' ' ' VAL . 43.3 ttt180 -118.82 149.96 40.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.436 ' N ' ' HG2' ' A' ' 40' ' ' ARG . 99.1 t -99.63 84.11 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.4 t -53.55 -47.69 59.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.9 mttm -114.45 104.61 12.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.538 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 83.6 p -76.88 -27.55 55.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -77.69 -43.61 30.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.63 -37.43 76.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.065 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 36.7 tp -56.22 -48.11 77.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.571 ' HA ' HD13 ' A' ' 65' ' ' LEU . . . -70.72 -50.98 30.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.078 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.03 -48.32 43.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.4 mmm -66.03 -44.6 84.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.787 ' CD1' HD12 ' A' ' 65' ' ' LEU . 24.2 t-105 -52.55 -54.61 30.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 56' ' ' LYS . . . -48.94 -47.94 31.32 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -48.97 -38.07 22.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.748 0.308 . . . . 0.0 110.877 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -71.7 -41.19 68.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.834 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.93 -2.71 58.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 52' ' ' GLY . 0.4 OUTLIER 52.34 30.82 8.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.841 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -58.67 -88.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -179.44 -55.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 60' ' ' MET . 0.8 OUTLIER -149.61 37.77 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 59' ' ' ARG . 31.0 tpp -34.51 140.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.897 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 59' ' ' ARG . 0.7 OUTLIER -138.96 141.69 38.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.186 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.538 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 8.4 t80 -37.4 -32.37 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.964 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 61' ' ' THR . 2.2 tt0 -61.05 -47.27 87.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 61' ' ' THR . 2.4 mtpp -80.86 -35.63 32.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.787 HD12 ' CD1' ' A' ' 51' ' ' TRP . 5.6 tt -62.33 -42.87 99.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.959 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.466 ' HA ' HD12 ' A' ' 69' ' ' LEU . 21.7 p -54.95 -31.08 60.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.46 ' CG ' ' N ' ' A' ' 68' ' ' ALA . 12.9 ptt180 -47.14 -45.61 22.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.46 ' N ' ' CG ' ' A' ' 67' ' ' ARG . . . -74.09 -38.64 63.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 66' ' ' SER . 90.3 mt -51.6 -42.16 61.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.575 ' HA ' ' CD2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -83.68 -21.14 32.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -74.66 -26.56 59.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -69.25 -24.27 63.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.575 ' CD2' ' HA ' ' A' ' 70' ' ' ARG . 23.3 m-85 -61.97 -8.58 5.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -95.64 -27.46 15.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.6 p -98.66 -13.65 20.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.34 -20.64 49.43 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 13.9 mm -41.33 -45.95 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.888 0.375 . . . . 0.0 111.141 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.8 mt -114.68 172.29 7.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -129.97 125.48 35.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.404 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -58.65 129.65 43.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.412 HG12 ' H ' ' A' ' 83' ' ' ARG . 45.3 t -118.72 143.98 28.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -94.31 32.28 1.57 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.412 ' H ' HG12 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -119.3 -175.13 2.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.671 ' O ' HG23 ' A' ' 86' ' ' VAL . 21.5 ttp180 -106.74 127.91 53.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.2 mp 49.79 37.0 12.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 84' ' ' ARG . 92.3 t -132.73 109.19 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 34.4 m-85 -110.04 173.9 6.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -151.66 134.98 16.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.932 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.54 ' CE2' ' CD1' ' A' ' 39' ' ' PHE . 89.8 m-85 -77.02 124.19 27.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.844 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -71.13 -152.66 1.07 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.524 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.53 -25.64 20.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.78 0.324 . . . . 0.0 110.857 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.84 -34.41 73.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.423 ' HB1' ' CZ3' ' A' ' 12' ' ' TRP . . . -77.74 138.45 39.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.083 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 31.5 p80 -129.57 119.64 23.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 160.65 -41.09 0.43 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.498 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.496 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 61.2 p-90 -84.93 -53.99 4.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.761 0.315 . . . . 0.0 110.893 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.451 ' N ' ' CG ' ' A' ' 96' ' ' TRP . 0.0 OUTLIER -52.21 149.22 5.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.926 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.46 111.33 2.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 58.35 178.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.53 145.2 24.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.3 mt 177.93 126.08 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.1 m 62.95 95.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 158.38 78.08 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -10.73 29.29 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.689 2.259 . . . . 0.0 112.342 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 46.5 t 62.95 154.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 72.6 p -162.56 101.1 1.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.485 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.47 113.03 0.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.89 0.376 . . . . 0.0 110.881 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.34 92.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.91 99.99 1.21 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.8 t -163.71 148.65 10.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.75 88.34 1.05 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.32 -53.68 0.48 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.453 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 91.8 p -59.48 142.48 52.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 110.892 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.8 p 178.62 -53.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 60.76 124.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.466 HD23 ' HB3' ' A' ' 68' ' ' ALA . 27.0 tp -54.87 -57.66 10.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 72' ' ' TYR . 18.5 p-90 -40.79 -32.6 0.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.413 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.3 OUTLIER -78.9 -39.9 33.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.437 ' CD1' ' N ' ' A' ' 15' ' ' VAL . 1.5 t80 -61.73 -57.32 12.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.437 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 6.2 p -58.33 -43.55 86.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.166 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.543 ' HB2' ' CE1' ' A' ' 89' ' ' PHE . 1.9 ttp180 -60.31 -37.33 80.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -57.92 -50.51 73.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.429 ' HB3' HD12 ' A' ' 29' ' ' LEU . 8.0 mp -44.28 -45.06 8.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.507 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 34.0 mt -58.72 -38.13 77.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.0 mt -92.07 -6.33 51.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.4 m -122.07 81.62 43.7 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.691 0.758 . . . . 0.0 110.823 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -5.61 16.6 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.683 2.255 . . . . 0.0 112.383 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -84.66 -26.27 27.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.7 -46.45 4.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -62.88 120.95 12.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.12 87.17 2.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.15 41.56 30.56 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.527 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.7 mt -100.46 -35.55 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.869 0.366 . . . . 0.0 111.126 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.429 HD12 ' HB3' ' A' ' 18' ' ' LEU . 1.5 mt -130.59 174.51 9.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.478 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 1.0 OUTLIER -147.97 142.86 26.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.507 ' CE2' ' HB3' ' A' ' 19' ' ' LEU . 5.9 m95 -87.18 93.21 9.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.95 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.66 -34.08 69.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -159.73 112.54 2.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 34' ' ' ARG . 5.6 mmm180 -70.84 -40.05 72.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.58 -51.58 64.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -76.47 -34.53 58.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.456 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 93.47 24.61 20.89 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.429 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 12.5 mt -84.94 134.93 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.866 0.365 . . . . 0.0 111.132 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.494 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 49.5 p90 -134.55 151.15 50.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -112.17 145.57 39.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 92.9 t -91.15 84.04 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.478 ' CG2' ' HG3' ' A' ' 30' ' ' GLU . 68.2 t -53.04 -50.8 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -115.41 91.09 3.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.473 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 82.7 p -63.18 -23.88 67.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.836 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -80.71 -52.73 7.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.73 -32.86 72.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.116 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 34.1 tp -56.8 -51.41 69.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.5 ' HA ' HD13 ' A' ' 65' ' ' LEU . . . -71.12 -38.87 72.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.046 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.2 -49.04 75.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -65.56 -47.91 74.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 27.8 t-105 -52.88 -57.01 11.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.444 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -44.64 -44.17 8.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -57.88 -31.86 67.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.808 0.337 . . . . 0.0 110.901 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -73.16 -35.68 66.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.93 4.33 53.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.15 30.17 19.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -105.06 137.7 42.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.15 -4.82 28.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -106.37 24.45 12.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.444 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 39.9 tpp -79.89 134.22 36.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 62' ' ' TYR . 14.5 t -160.4 137.46 9.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.168 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.473 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 8.3 t80 -34.53 -43.65 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -49.78 -49.37 48.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 61' ' ' THR . 54.2 mttm -81.7 -42.86 19.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.5 HD13 ' HA ' ' A' ' 48' ' ' ALA . 7.0 tt -52.55 -38.79 60.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 69' ' ' LEU . 20.0 m -55.67 -34.73 65.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -43.85 -41.01 4.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.566 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -73.13 -31.81 64.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.046 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.531 HD13 ' CE2' ' A' ' 87' ' ' TYR . 85.4 mt -65.98 -37.01 84.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.429 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 3.2 mtt-85 -86.52 -21.25 27.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -82.7 -19.46 38.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.566 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 12.9 m-85 -73.62 -26.34 60.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.951 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.454 ' CD2' ' HD2' ' A' ' 80' ' ' ARG . 23.6 m-85 -59.42 -31.95 69.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.8 -44.85 88.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 46.3 p -84.55 -14.22 49.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 95.49 -14.58 64.75 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.5 mm -43.08 -40.6 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 111.129 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.6 mt -117.39 160.96 20.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.455 ' O ' HG23 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -117.72 117.81 30.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.454 ' HD2' ' CD2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -46.44 129.37 10.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.76 HG12 ' H ' ' A' ' 83' ' ' ARG . 84.7 t -120.36 139.15 48.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.57 32.68 3.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.76 ' H ' HG12 ' A' ' 81' ' ' VAL . 0.6 OUTLIER -117.02 -175.53 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.849 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.439 ' O ' HG23 ' A' ' 86' ' ' VAL . 11.7 ttp180 -97.9 120.95 39.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 85' ' ' LEU . 3.8 mm? 46.67 38.0 5.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.691 ' O ' HG11 ' A' ' 81' ' ' VAL . 18.7 t -126.01 105.25 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.13 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.531 ' CE2' HD13 ' A' ' 69' ' ' LEU . 6.5 m-85 -108.0 170.57 7.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -151.93 135.84 16.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.894 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.543 ' CE1' ' HB2' ' A' ' 16' ' ' ARG . 99.0 m-85 -73.74 134.59 43.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.836 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -81.0 -156.64 14.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -22.8 27.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.812 0.339 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -66.13 -30.77 71.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -81.76 130.67 35.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -117.85 165.65 13.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 104.68 -42.1 1.98 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.456 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 47.1 p-90 -79.83 -40.16 29.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.699 0.285 . . . . 0.0 110.901 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.47 164.64 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -48.59 100.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.27 165.92 16.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -131.26 135.94 47.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.944 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -112.25 41.83 1.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.8 t -168.58 138.75 2.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 55.97 74.26 0.34 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.484 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 91.76 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.605 2.203 . . . . 0.0 112.368 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.1 p 172.92 -42.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.68 -57.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 -179.95 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -162.66 97.57 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.868 0.366 . . . . 0.0 110.853 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.3 p -153.56 112.74 3.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.97 179.97 32.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.74 145.74 46.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.364 . . . . 0.0 110.853 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m -110.88 147.35 34.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.5 78.84 0.33 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.28 134.74 44.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 110.862 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 t -133.92 123.56 24.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 72.13 131.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.541 HD23 ' HB3' ' A' ' 68' ' ' ALA . 14.6 tp -60.27 -53.32 59.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.448 ' CZ2' ' HG3' ' A' ' 13' ' ' GLU . 10.6 p-90 -43.52 -31.51 0.73 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.448 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.7 OUTLIER -80.66 -39.45 27.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.433 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 1.1 t80 -64.88 -51.19 63.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.497 ' HA ' HD12 ' A' ' 18' ' ' LEU . 7.6 p -63.18 -34.11 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.468 ' HE ' ' N ' ' A' ' 17' ' ' ASP . 2.7 ttp180 -71.61 -48.28 49.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.832 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.468 ' N ' ' HE ' ' A' ' 16' ' ' ARG . 11.3 t70 -53.37 -36.18 61.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.533 HD21 ' CE ' ' A' ' 50' ' ' MET . 9.0 mt -57.76 -42.66 84.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.7 mt -62.84 -39.74 95.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.4 mt -81.91 -16.87 49.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.7 m -111.91 81.11 3.37 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.653 0.739 . . . . 0.0 110.832 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -3.56 12.32 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.637 2.224 . . . . 0.0 112.349 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -90.14 -23.85 21.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.31 -38.52 7.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 26' ' ' CYS . 5.7 t30 -75.84 133.36 40.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.459 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 5.5 t -116.43 85.99 2.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 44.73 42.6 7.69 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.467 HG23 ' HB2' ' A' ' 43' ' ' LYS . 19.1 mt -97.2 -28.45 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.866 0.365 . . . . 0.0 111.142 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.631 HD23 ' HA ' ' A' ' 41' ' ' VAL . 8.5 mt -135.23 170.99 15.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -146.64 151.0 36.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.533 ' CD1' ' HD3' ' A' ' 34' ' ' ARG . 10.5 m95 -96.7 115.49 27.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -88.0 -38.17 15.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -165.68 83.19 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.533 ' HD3' ' CD1' ' A' ' 31' ' ' TRP . 5.5 mmm180 -38.75 -48.34 1.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -47.3 -54.85 9.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -78.02 -16.53 58.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.927 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.551 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 78.53 18.21 76.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.474 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 36.6 mt -82.22 133.57 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.579 ' CE1' ' CE1' ' A' ' 89' ' ' PHE . 26.9 p90 -137.52 154.32 49.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -114.46 141.91 47.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.631 ' HA ' HD23 ' A' ' 29' ' ' LEU . 48.3 t -94.16 85.3 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.1 t -52.47 -51.48 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.467 ' HB2' HG23 ' A' ' 28' ' ' ILE . 41.2 mttm -108.39 101.57 10.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.8 p -77.24 -25.36 51.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -80.85 -36.94 30.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.16 -37.14 58.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.7 tp -54.95 -45.62 74.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.98 -49.14 30.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -48.93 -45.85 42.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.533 ' CE ' HD21 ' A' ' 18' ' ' LEU . 2.8 mmm -68.03 -44.88 75.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.831 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 27.1 t-105 -55.87 -52.67 63.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.439 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -46.99 -47.13 20.05 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.53 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -52.73 -31.56 38.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.777 0.322 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -75.46 -35.98 60.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.14 10.89 40.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 54.19 31.44 14.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 -97.3 86.61 3.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -55.94 -19.79 13.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -103.32 28.33 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.439 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 23.5 tpp -74.61 133.89 42.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.3 t -152.71 143.86 23.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.18 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -42.32 -28.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -64.0 -43.54 95.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -85.05 -35.2 22.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.5 tt -60.28 -39.23 86.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 69' ' ' LEU . 33.3 p -55.42 -33.94 63.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.406 ' CG ' ' N ' ' A' ' 68' ' ' ALA . 3.1 ptt85 -41.66 -43.13 2.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.597 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -74.3 -32.42 62.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.432 ' HA ' HD12 ' A' ' 78' ' ' LEU . 40.9 mt -67.19 -32.35 73.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.581 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 1.1 mmm180 -85.15 -24.01 28.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -86.46 -15.11 41.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 10.7 m-85 -78.77 -11.07 59.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.581 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 21.1 m-85 -72.81 -55.25 6.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.64 -42.44 78.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 p -74.91 -18.13 60.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.03 -13.18 68.32 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.471 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.505 HG21 ' CD1' ' A' ' 72' ' ' TYR . 3.7 mm -47.45 -41.87 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.797 0.332 . . . . 0.0 111.153 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.465 HD12 ' HB2' ' A' ' 72' ' ' TYR . 12.6 mt -116.43 170.07 8.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.31 123.51 42.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.22 120.83 9.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 89.3 t -118.77 141.22 39.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -93.99 44.75 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -130.89 179.38 6.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.763 ' O ' HG23 ' A' ' 86' ' ' VAL . 3.7 ttm-85 -104.86 134.62 47.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.3 mp 47.83 33.16 3.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 84' ' ' ARG . 88.8 t -132.56 109.84 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -115.47 172.41 7.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -151.11 133.9 15.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.579 ' CE1' ' CE1' ' A' ' 39' ' ' PHE . 96.5 m-85 -75.33 123.75 25.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.79 -150.1 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.0 -13.47 26.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.77 0.319 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -75.76 -31.03 59.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.48 127.86 34.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.082 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -115.71 143.72 44.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 123.51 -40.59 1.94 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.551 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 37.0 p-90 -84.35 -42.65 15.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.676 0.274 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.453 ' N ' ' CD2' ' A' ' 96' ' ' TRP . 0.8 OUTLIER -45.82 165.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 53.93 178.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.7 OUTLIER 62.68 149.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 99' ' ' ASP . 2.4 tttm 38.21 67.76 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -139.91 142.86 36.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.5 m -179.52 101.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -150.98 156.27 26.58 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -38.81 7.24 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.695 2.263 . . . . 0.0 112.318 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.9 m -117.07 164.24 15.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.06 160.82 37.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 t -146.58 -46.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.922 0.391 . . . . 0.0 110.889 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.7 m -90.31 152.82 20.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.834 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.2 163.6 24.85 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.468 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 m -70.0 155.01 41.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.912 0.386 . . . . 0.0 110.823 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 t -108.81 109.21 20.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.836 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.45 137.69 5.9 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.83 145.8 50.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.885 0.374 . . . . 0.0 110.855 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.94 -167.2 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 59.06 157.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.817 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.747 HD23 ' NE1' ' A' ' 51' ' ' TRP . 1.5 tm? -75.91 -54.33 7.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.647 ' CZ3' ' HB1' ' A' ' 93' ' ' ALA . 20.1 p-90 -52.29 -44.48 65.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.596 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -69.67 -45.16 69.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.833 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 51' ' ' TRP . 3.0 t80 -48.51 -55.11 11.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 11' ' ' LEU . 3.6 p -66.64 -23.6 31.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.125 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 3.6 ttp180 -77.79 -34.57 52.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 21' ' ' SER . 21.2 t70 -61.99 -51.37 68.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.405 ' HB3' HD12 ' A' ' 29' ' ' LEU . 8.1 mp -43.77 -44.0 6.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.412 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 62.0 mt -60.41 -36.31 77.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mt -93.19 -9.69 38.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 17' ' ' ASP . 4.7 m -121.39 85.7 42.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.643 0.735 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -8.93 24.87 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.698 2.265 . . . . 0.0 112.356 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -78.1 -29.97 49.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.06 -42.35 6.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -67.71 118.52 11.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.38 84.82 2.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.17 36.89 57.83 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.1 mt -96.42 -39.91 9.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.899 0.38 . . . . 0.0 111.127 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.47 HD21 HD13 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -130.66 171.51 12.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.467 ' CG ' ' HB3' ' A' ' 40' ' ' ARG . 4.4 pt-20 -148.74 151.36 34.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.517 ' CD2' ' HD2' ' A' ' 34' ' ' ARG . 27.9 m95 -91.61 125.14 36.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -99.37 -49.77 4.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -149.31 71.04 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.517 ' HD2' ' CD2' ' A' ' 31' ' ' TRP . 5.6 tpt180 -34.44 -42.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -53.23 -51.53 61.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 33' ' ' ASP . 4.1 mt-30 -78.56 -26.67 45.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.415 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 90.24 27.22 21.38 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.445 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.5 mt -94.48 138.15 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.841 0.353 . . . . 0.0 111.154 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -140.76 152.66 45.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.467 ' HB3' ' CG ' ' A' ' 30' ' ' GLU . 42.0 ttt180 -111.61 148.05 34.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.526 HG13 HD22 ' A' ' 47' ' ' LEU . 57.9 t -94.43 83.77 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 77.5 t -48.91 -57.27 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -110.76 100.37 9.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.868 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.588 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 89.6 p -68.68 -28.22 66.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -75.67 -53.28 8.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.7 -37.47 81.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.526 HD22 HG13 ' A' ' 41' ' ' VAL . 49.6 tp -57.53 -46.98 83.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.447 ' HA ' HD13 ' A' ' 65' ' ' LEU . . . -73.91 -52.11 13.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -45.92 -48.82 16.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.24 -47.08 78.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.747 ' NE1' HD23 ' A' ' 11' ' ' LEU . 20.8 t-105 -52.8 -55.83 20.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.03 -47.1 15.04 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.525 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -50.06 -33.66 19.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 0.0 110.913 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -69.44 -41.83 75.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.66 3.96 51.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 47.21 48.9 15.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.49 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 32.5 t30 -93.5 -43.39 8.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 0.3 OUTLIER 82.93 -37.04 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -101.0 39.52 1.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 54.5 tpp -91.1 138.44 31.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 62' ' ' TYR . 8.8 t -157.47 144.99 18.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.141 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.588 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 4.2 t80 -36.11 -50.39 0.71 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -44.65 -44.97 9.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -83.8 -48.43 10.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.516 ' HG ' HD21 ' A' ' 11' ' ' LEU . 7.1 tt -45.7 -44.31 13.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.7 p -49.51 -35.18 19.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -44.19 -40.5 5.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.931 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.599 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -74.69 -34.23 62.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.626 HD13 ' CE2' ' A' ' 87' ' ' TYR . 75.3 mt -65.66 -35.02 79.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.501 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 9.2 mtm180 -83.23 -28.36 29.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.433 ' CD1' ' HE2' ' A' ' 74' ' ' LYS . 67.5 t80 -77.83 -15.19 59.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 14.2 m-85 -80.48 -21.53 41.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.501 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 23.3 m-85 -64.5 -34.42 78.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.433 ' HE2' ' CD1' ' A' ' 71' ' ' TYR . 4.3 mtmp? -63.37 -49.83 72.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.9 p -76.8 -24.73 52.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.27 -14.49 47.65 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.529 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.5 mm -43.09 -39.98 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 69' ' ' LEU . 10.1 mt -117.24 159.29 22.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -113.27 119.5 37.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -52.76 115.08 1.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.837 HG12 ' H ' ' A' ' 83' ' ' ARG . 74.4 t -106.48 141.74 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -101.97 33.58 2.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.837 ' H ' HG12 ' A' ' 81' ' ' VAL . 19.1 mtt85 -119.05 175.67 5.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.962 ' O ' HG23 ' A' ' 86' ' ' VAL . 16.6 ttp180 -85.81 128.16 34.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 84' ' ' ARG . 10.2 mp 37.92 43.0 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.951 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.962 HG23 ' O ' ' A' ' 84' ' ' ARG . 81.8 t -128.89 107.69 16.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.626 ' CE2' HD13 ' A' ' 69' ' ' LEU . 31.4 m-85 -109.4 169.64 8.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.3 tttm -151.88 135.29 16.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 80.4 m-85 -73.67 130.29 39.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.875 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.77 -154.27 6.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.51 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.85 -25.53 20.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.769 0.319 . . . . 0.0 110.86 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -34.65 75.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.647 ' HB1' ' CZ3' ' A' ' 12' ' ' TRP . . . -75.88 177.94 6.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 20.5 p80 -162.02 174.04 13.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 96.31 -45.16 1.93 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.571 ' CZ2' ' HG3' ' A' ' 97' ' ' GLN . 46.3 p-90 -76.25 -45.53 32.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.685 0.279 . . . . 0.0 110.941 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.571 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 1.7 mt-30 -45.69 170.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.99 145.43 32.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 100' ' ' LYS . 0.7 OUTLIER -132.12 161.29 33.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 99' ' ' ASP . 1.5 mttt -34.38 148.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -151.55 177.95 9.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 79.2 p -110.77 173.25 6.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -57.02 145.99 36.63 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -47.06 1.02 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.724 2.283 . . . . 0.0 112.332 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.1 m 49.12 76.87 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.858 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.6 t -160.21 154.85 24.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.54 42.34 27.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.861 0.362 . . . . 0.0 110.865 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 4' ' ' GLY . 0.1 OUTLIER -111.49 127.35 55.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.831 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 35.74 -107.99 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.2 p -172.57 108.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 110.823 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.58 169.08 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.96 81.52 0.42 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.34 149.7 30.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.932 0.396 . . . . 0.0 110.79 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.6 p -125.14 108.74 12.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.464 ' O ' ' N ' ' A' ' 13' ' ' GLU . 94.0 m-70 -137.15 129.61 29.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.747 HD23 ' CE2' ' A' ' 51' ' ' TRP . 2.4 tm? -36.84 -63.49 0.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.546 ' HB3' ' CE2' ' A' ' 72' ' ' TYR . 26.8 p-90 -45.79 -34.96 4.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.963 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.531 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -76.84 -40.71 46.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.7 -51.57 69.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.2 p -61.48 -40.51 86.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.105 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.451 ' HE ' ' N ' ' A' ' 17' ' ' ASP . 2.1 ttp180 -65.03 -49.63 69.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.451 ' N ' ' HE ' ' A' ' 16' ' ' ARG . 32.8 t0 -52.29 -37.98 57.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.505 HD22 ' HB2' ' A' ' 25' ' ' ASN . 13.2 mt -54.41 -45.84 73.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.466 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . 13.6 mt -60.8 -42.8 98.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.6 mt -80.13 -13.32 59.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.2 m -118.82 83.77 23.67 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.654 0.74 . . . . 0.0 110.852 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -9.75 26.88 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.36 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -77.27 -29.04 53.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.78 -40.76 7.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.944 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.505 ' HB2' HD22 ' A' ' 18' ' ' LEU . 14.4 t30 -76.04 128.69 35.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.5 87.21 2.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.23 39.82 28.39 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.5 mt -92.59 -33.67 5.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 0.0 111.118 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.706 HD23 ' HA ' ' A' ' 41' ' ' VAL . 4.8 mt -134.13 172.68 12.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.47 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 3.1 mt-10 -143.61 143.11 31.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.492 ' CD2' ' HD2' ' A' ' 34' ' ' ARG . 16.3 m95 -87.5 96.13 10.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -78.45 -34.17 47.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.829 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -159.07 101.82 1.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.492 ' HD2' ' CD2' ' A' ' 31' ' ' TRP . 47.5 mmm-85 -65.81 -44.61 85.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.826 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.93 -49.15 78.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.401 ' O ' ' HE2' ' A' ' 88' ' ' LYS . 2.8 mt-30 -75.99 -28.96 58.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.8 30.83 16.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.51 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.1 mt -97.11 136.96 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 111.112 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.423 ' HD2' HD22 ' A' ' 29' ' ' LEU . 18.5 p90 -140.49 151.05 44.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -111.49 146.41 37.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.844 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.706 ' HA ' HD23 ' A' ' 29' ' ' LEU . 81.0 t -92.47 82.49 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.47 ' CG2' ' HG3' ' A' ' 30' ' ' GLU . 97.2 t -49.91 -50.08 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.168 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.2 mttm -115.94 105.43 12.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.449 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 96.9 p -77.73 -15.93 58.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -89.74 -42.71 11.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.58 -37.78 77.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 30.2 tp -59.93 -47.22 86.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.73 -47.71 58.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -50.14 -46.55 54.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.3 mmm -69.25 -41.22 77.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.747 ' CE2' HD23 ' A' ' 11' ' ' LEU . 21.4 t-105 -57.89 -54.22 49.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.476 ' N ' ' HG2' ' A' ' 60' ' ' MET . . . -46.12 -48.65 14.8 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -49.59 -39.52 35.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 0.0 110.946 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -64.81 -36.24 83.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.2 14.61 31.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.01 33.13 8.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.441 ' C ' ' OD1' ' A' ' 57' ' ' ASN . 28.1 t-20 -96.39 86.02 4.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -54.08 -23.46 13.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.422 ' C ' ' OD1' ' A' ' 57' ' ' ASN . 0.8 OUTLIER -104.72 40.55 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.875 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.512 ' CE ' ' CD1' ' A' ' 51' ' ' TRP . 40.7 tpp -92.03 131.24 37.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.0 t -151.55 149.75 29.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.136 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.449 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 5.4 t80 -38.43 -53.88 1.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -42.24 -40.87 2.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -85.78 -51.43 6.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.945 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.641 HD12 ' CD1' ' A' ' 51' ' ' TRP . 5.0 tt -44.63 -45.64 9.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 69' ' ' LEU . 26.0 p -47.8 -35.69 10.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' A' ' 68' ' ' ALA . 11.7 ptt-85 -40.69 -40.68 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.529 ' O ' ' CD2' ' A' ' 72' ' ' TYR . . . -79.51 -30.6 41.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.121 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 66' ' ' SER . 80.3 mt -67.59 -38.38 83.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.502 ' HA ' ' CD2' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -85.96 -23.46 26.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -80.26 -16.3 55.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.546 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 6.3 m-85 -77.26 -30.18 54.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.915 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.564 ' CD2' ' HD2' ' A' ' 80' ' ' ARG . 24.3 m-85 -56.59 -27.79 58.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -66.77 -44.95 80.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 33.6 p -84.99 -22.57 29.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 106.79 -18.04 37.93 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.8 mm -40.52 -41.23 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.842 0.353 . . . . 0.0 111.096 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.455 ' HB3' ' CE1' ' A' ' 73' ' ' TYR . 11.4 mt -116.46 165.13 13.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.95 120.21 32.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.564 ' HD2' ' CD2' ' A' ' 73' ' ' TYR . 2.3 ttt180 -61.48 120.81 11.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.3 t -112.62 135.49 51.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.62 39.78 0.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -119.49 -178.06 3.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.509 ' O ' HG23 ' A' ' 86' ' ' VAL . 26.1 tpt180 -100.88 119.27 38.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.405 HD23 ' CD ' ' A' ' 84' ' ' ARG . 3.9 mm? 51.18 36.42 15.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 84' ' ' ARG . 55.8 t -126.5 104.11 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -103.79 169.68 8.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.401 ' HE2' ' O ' ' A' ' 36' ' ' GLN . 14.3 tttt -151.71 132.5 14.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -72.34 131.61 42.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.98 -151.03 4.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.447 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.83 -22.01 18.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.82 0.343 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -63.77 -32.03 73.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.493 ' HB1' ' CZ3' ' A' ' 12' ' ' TRP . . . -82.36 132.49 35.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -123.3 133.13 54.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 149.4 -44.29 0.73 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.461 ' CG ' ' N ' ' A' ' 97' ' ' GLN . 59.1 p-90 -84.26 -54.94 4.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.686 0.279 . . . . 0.0 110.885 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.461 ' N ' ' CG ' ' A' ' 96' ' ' TRP . 0.0 OUTLIER -48.57 147.3 2.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.88 157.09 16.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.27 156.25 17.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -104.19 171.23 7.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 62.99 122.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.6 t -172.38 -59.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 95.0 -157.52 22.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.443 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -179.17 2.73 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.26 . . . . 0.0 112.321 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.2 p -73.15 145.04 46.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.0 p -132.02 97.46 4.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 -179.945 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -67.69 111.62 4.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 0.0 110.842 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.68 -57.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.13 -102.06 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 t -47.41 136.75 9.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.887 0.375 . . . . 0.0 110.849 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.15 132.13 0.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.795 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.96 -76.75 1.32 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.534 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.4 t -164.46 127.45 2.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.866 0.365 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 m -148.76 -40.85 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -146.37 130.18 17.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.482 ' CD2' ' HB3' ' A' ' 68' ' ' ALA . 17.1 tp -53.97 -56.97 12.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.92 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.517 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 21.1 p-90 -40.59 -39.99 1.17 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.517 ' HG2' ' CH2' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -69.09 -40.98 78.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.459 ' CD1' ' N ' ' A' ' 15' ' ' VAL . 1.5 t80 -62.46 -58.49 7.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.459 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 2.3 p -61.18 -24.41 33.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.471 ' HB2' ' CE1' ' A' ' 89' ' ' PHE . 2.0 ttp180 -77.32 -41.8 39.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 21' ' ' SER . 27.0 t70 -56.24 -47.26 78.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.429 ' HB3' HD12 ' A' ' 29' ' ' LEU . 8.5 mp -48.54 -45.12 37.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.506 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 15.0 mt -62.23 -35.09 77.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.0 mt -95.58 -3.33 46.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 17' ' ' ASP . 3.2 m -125.32 83.98 60.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.724 0.773 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -4.22 13.64 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.652 2.235 . . . . 0.0 112.338 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -85.79 -26.9 25.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.07 -47.04 4.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -63.23 124.02 20.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.7 89.14 3.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 43.86 36.96 3.89 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.455 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.413 HG23 ' HB2' ' A' ' 43' ' ' LYS . 11.1 mt -94.4 -31.82 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.874 0.369 . . . . 0.0 111.143 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.429 HD12 ' HB3' ' A' ' 18' ' ' LEU . 1.0 OUTLIER -133.66 170.59 15.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -145.1 145.39 31.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.523 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 5.9 m95 -90.04 104.23 16.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -81.32 -38.72 26.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.493 ' HB2' ' CG1' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -152.89 104.27 2.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.523 ' HD3' ' CG ' ' A' ' 31' ' ' TRP . 0.8 OUTLIER -68.25 -25.46 65.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.872 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -71.44 -51.13 25.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.434 ' O ' ' CE ' ' A' ' 88' ' ' LYS . 3.5 mt-30 -89.15 -16.68 30.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.567 ' HA3' ' CZ3' ' A' ' 96' ' ' TRP . . . 85.7 31.72 20.53 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.461 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.493 ' CG1' ' HB2' ' A' ' 33' ' ' ASP . 8.4 mm -78.62 127.22 38.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.876 0.369 . . . . 0.0 111.105 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.588 ' CZ ' ' HB2' ' A' ' 87' ' ' TYR . 51.0 p90 -137.81 146.77 43.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.451 ' HG2' ' N ' ' A' ' 41' ' ' VAL . 6.0 ttt180 -115.82 148.83 39.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.451 ' N ' ' HG2' ' A' ' 40' ' ' ARG . 97.0 t -96.27 80.17 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.8 t -49.67 -52.24 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.413 ' HB2' HG23 ' A' ' 28' ' ' ILE . 31.1 mttm -110.06 91.5 3.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.499 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 35.0 p -67.47 -26.61 66.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -76.85 -38.38 53.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.17 -30.01 48.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.1 tp -61.86 -44.39 96.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.26 -46.08 43.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.23 -46.69 62.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.5 mmm -66.28 -48.95 68.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.49 ' CD1' HD12 ' A' ' 65' ' ' LEU . 17.1 t-105 -51.59 -54.93 22.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -48.08 -44.25 25.84 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.451 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -52.03 -31.74 31.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.788 0.327 . . . . 0.0 110.929 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -73.38 -37.01 66.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -95.62 8.54 43.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 40.66 48.96 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 43.1 t30 -92.68 -44.22 8.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 0.9 OUTLIER 83.64 -34.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -102.31 34.7 2.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 52.5 tpp -87.08 133.15 33.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.3 t -149.18 146.54 27.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.113 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.499 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 7.3 t80 -38.24 -49.65 1.38 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -48.11 -41.74 27.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -81.97 -48.36 11.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.49 HD12 ' CD1' ' A' ' 51' ' ' TRP . 4.7 tt -49.1 -51.48 31.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.924 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 69' ' ' LEU . 43.0 m -43.82 -37.91 3.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -42.65 -38.79 2.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.482 ' HB3' ' CD2' ' A' ' 11' ' ' LEU . . . -78.46 -29.62 46.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 66' ' ' SER . 69.1 mt -66.67 -33.52 75.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.505 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -86.54 -21.86 26.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -84.39 -20.43 31.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.429 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 8.6 m-85 -74.02 -19.72 60.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.957 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.505 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 23.6 m-85 -64.55 -23.98 67.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.902 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -76.76 -46.92 23.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.9 p -77.14 -15.95 59.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.01 -5.82 72.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.3 mm -54.01 -41.83 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.811 0.339 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.461 HD23 ' O ' ' A' ' 88' ' ' LYS . 7.1 mt -115.52 166.76 11.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.11 122.66 37.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.34 133.61 34.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.843 HG12 ' H ' ' A' ' 83' ' ' ARG . 57.8 t -126.9 137.23 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.92 32.13 1.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.843 ' H ' HG12 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -116.6 177.89 4.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.881 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.875 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -90.06 126.46 35.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.874 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.7 mp 40.99 44.55 2.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.875 HG23 ' O ' ' A' ' 84' ' ' ARG . 83.1 t -129.64 118.44 45.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.588 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 25.4 m-85 -121.6 172.36 8.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.942 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.461 ' O ' HD23 ' A' ' 78' ' ' LEU . 7.5 tttt -151.27 141.85 22.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.471 ' CE1' ' HB2' ' A' ' 16' ' ' ARG . 95.9 m-85 -82.47 123.48 29.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.95 -146.29 0.28 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -93.87 -22.47 18.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.808 0.337 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -67.61 -28.39 67.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.464 ' HB1' ' CZ3' ' A' ' 12' ' ' TRP . . . -86.16 139.51 31.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -119.56 164.98 15.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 102.9 -49.05 0.99 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.51 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.567 ' CZ3' ' HA3' ' A' ' 37' ' ' GLY . 24.6 p-90 -75.49 -46.69 30.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.775 0.322 . . . . 0.0 110.907 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.543 ' HG3' ' CZ2' ' A' ' 96' ' ' TRP . 1.3 mt-30 -46.23 148.86 0.81 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.84 156.03 30.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 58.31 154.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -166.67 135.6 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -121.35 151.98 39.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 37.2 m 42.91 39.33 1.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -106.03 87.71 0.53 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 -43.72 2.43 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.657 2.238 . . . . 0.0 112.366 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 79.7 p -169.36 -46.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 172.71 176.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.507 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.38 138.3 54.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 110.838 -179.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.52 103.39 4.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.84 163.43 0.11 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.98 -54.37 2.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.866 0.365 . . . . 0.0 110.888 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 50.59 42.71 27.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.67 140.1 6.53 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.2 p -139.45 123.52 17.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 0.0 110.887 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.9 p -159.65 45.73 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.411 ' HB3' ' CD1' ' A' ' 12' ' ' TRP . 53.1 m-70 -133.95 135.44 43.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 14' ' ' PHE . 39.1 tp -60.96 -56.87 16.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.488 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 32.0 p-90 -40.22 -34.55 0.32 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.488 ' HG2' ' CH2' ' A' ' 12' ' ' TRP . 0.3 OUTLIER -75.18 -42.63 55.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.426 ' CD2' ' HG3' ' A' ' 54' ' ' ARG . 1.2 t80 -62.24 -54.37 41.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.7 p -60.05 -32.08 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.081 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.445 ' HB2' ' CZ ' ' A' ' 89' ' ' PHE . 1.4 ttp180 -72.32 -44.31 62.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -56.45 -29.91 62.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.486 HD21 ' CE ' ' A' ' 50' ' ' MET . 12.0 mt -65.48 -39.69 92.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.46 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . 5.1 mt -65.73 -34.71 78.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.4 mt -86.74 -14.06 43.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.0 m -116.98 80.89 11.74 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.618 0.723 . . . . 0.0 110.832 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -5.41 16.15 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.652 2.235 . . . . 0.0 112.337 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -83.47 -28.09 29.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.85 -40.65 7.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.465 ' HB2' ' CD2' ' A' ' 18' ' ' LEU . 9.6 t30 -73.69 131.28 41.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.8 t -116.48 85.41 2.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 48.79 44.81 31.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.47 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 51.4 mt -98.42 -25.91 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.358 . . . . 0.0 111.135 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.628 HD23 ' HA ' ' A' ' 41' ' ' VAL . 6.9 mt -140.53 168.41 19.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -140.79 147.04 38.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.46 ' NE1' ' HB3' ' A' ' 19' ' ' LEU . 12.2 m95 -93.38 98.08 10.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -79.64 -28.83 40.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -163.42 102.9 0.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -39.04 83.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -60.0 -51.12 71.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -78.34 -32.37 49.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.93 26.4 11.6 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.461 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.2 mt -88.35 141.86 13.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.851 0.358 . . . . 0.0 111.103 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.492 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 37.9 p90 -146.16 151.0 36.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -111.95 142.33 44.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.628 ' HA ' HD23 ' A' ' 29' ' ' LEU . 88.2 t -88.14 84.22 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.9 t -52.69 -53.09 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 37.1 mttm -111.93 95.27 5.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.579 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 77.8 p -68.04 -30.48 69.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -73.7 -47.55 38.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.13 -39.1 92.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.5 tp -54.23 -54.35 41.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.16 -49.55 71.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -49.3 -48.3 46.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.486 ' CE ' HD21 ' A' ' 18' ' ' LEU . 4.6 mmm -66.52 -50.71 62.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.642 ' CD1' HD12 ' A' ' 65' ' ' LEU . 21.0 t-105 -48.8 -57.6 6.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.01 -48.93 14.15 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -48.79 -31.87 7.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 110.945 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.426 ' HG3' ' CD2' ' A' ' 14' ' ' PHE . 5.4 mmm180 -74.21 -35.7 63.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.99 8.33 43.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 45.53 32.0 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 52.3 t-20 -75.57 -49.0 19.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 8.0 t0 83.72 -32.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 -103.22 30.39 4.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.434 ' CE ' ' CD1' ' A' ' 51' ' ' TRP . 53.3 tpp -81.25 140.79 34.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 62' ' ' TYR . 11.2 t -159.7 139.61 11.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.579 ' CD2' ' HB2' ' A' ' 44' ' ' SER . 3.3 t80 -35.27 -41.56 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -51.98 -49.33 63.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 61' ' ' THR . 50.1 mttm -80.42 -42.63 22.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.642 HD12 ' CD1' ' A' ' 51' ' ' TRP . 1.5 tt -51.54 -48.0 63.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.3 p -45.38 -38.84 6.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.2 ptt-85 -42.98 -40.87 3.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.98 -34.24 57.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.093 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.1 mt -63.42 -43.38 97.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.573 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -81.87 -17.11 48.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.84 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -81.76 -21.93 37.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.46 ' CB ' ' HB2' ' A' ' 78' ' ' LEU . 10.9 m-85 -73.21 -26.54 61.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.573 ' CE2' ' HA ' ' A' ' 70' ' ' ARG . 21.6 m-85 -57.82 -23.86 54.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -78.28 -43.9 26.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.961 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.2 p -82.2 -8.03 59.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.43 -11.14 61.96 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.465 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.4 mm -47.06 -42.85 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 111.168 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.46 ' HB2' ' CB ' ' A' ' 72' ' ' TYR . 1.2 mp -110.31 -177.45 3.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.967 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -127.01 128.71 46.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -68.21 110.78 4.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 41.9 t -113.61 141.81 28.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.33 45.5 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.63 -172.73 2.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.0 112.02 24.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.3 mp 60.07 34.99 21.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 44.8 t -125.33 108.16 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -112.93 168.82 9.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 79' ' ' GLU . 8.8 tttt -151.95 129.56 11.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.492 ' CE2' ' CE1' ' A' ' 39' ' ' PHE . 93.6 m-85 -69.2 125.53 26.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -71.15 -150.52 0.75 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.45 -15.42 22.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -71.14 -27.18 63.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.16 136.38 38.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.074 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 29.1 p80 -131.26 128.22 39.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 142.34 -32.43 1.97 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.428 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.437 ' CG ' ' N ' ' A' ' 97' ' ' GLN . 66.1 p-90 -89.57 -51.27 5.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.762 0.315 . . . . 0.0 110.889 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.437 ' N ' ' CG ' ' A' ' 96' ' ' TRP . 0.0 OUTLIER -48.42 169.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -117.08 44.92 1.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -173.0 151.25 2.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.442 ' HG2' ' N ' ' A' ' 101' ' ' LEU . 3.6 ttmm 61.31 152.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.442 ' N ' ' HG2' ' A' ' 100' ' ' LYS . 12.6 tp -152.31 90.06 1.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.909 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.83 157.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -129.86 -93.55 0.69 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.511 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 171.97 13.45 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.714 2.276 . . . . 0.0 112.394 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.1 t -165.16 159.01 17.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.829 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 34.2 p -136.96 177.11 8.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 179.993 . . . . . . . . 0 0 . 1 stop_ save_